(2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine

C129H186F13N27O16 — CID 163940542

IUPAC(2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine
SMILESCOc1cc2c(NCOC(C)=O)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCOC3(C)CNC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@@](C)(O)C(C)C)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@H](C)O[C@H](C)C(F)(F)F)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@](C)(CO)NC3CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H40F2N6O3.C26H36F5N5O3.C26H38F2N6O3.C26H39F2N5O3.C24H33F2N5O4/c1-26(18-36,32-19-6-7-19)33-24-20-16-22(37-2)23(38-15-5-12-34-10-3-4-11-34)17-21(20)30-25(31-24)35-13-8-27(28,29)9-14-35;1-17(26(29,30)31)39-18(2)32-23-19-15-21(37-3)22(38-14-6-11-35-9-4-5-10-35)16-20(19)33-24(34-23)36-12-7-25(27,28)8-13-36;1-25(16-29-17-25)37-18-30-23-19-14-21(35-2)22(36-13-5-10-33-8-3-4-9-33)15-20(19)31-24(32-23)34-11-6-26(27,28)7-12-34;1-18(2)25(3,34)31-23-19-16-21(35-4)22(36-15-7-12-32-10-5-6-11-32)17-20(19)29-24(30-23)33-13-8-26(27,28)9-14-33;1-17(32)35-16-27-22-18-14-20(33-2)21(34-13-5-10-30-8-3-4-9-30)15-19(18)28-23(29-22)31-11-6-24(25,26)7-12-31/h16-17,19,32,36H,3-15,18H2,1-2H3,(H,30,31,33);15-18H,4-14H2,1-3H3,(H,32,33,34);14-15,29H,3-13,16-18H2,1-2H3,(H,30,31,32);16-18,34H,5-15H2,1-4H3,(H,29,30,31);14-15H,3-13,16H2,1-2H3,(H,27,28,29)/t26-;17-,18+;;25-;/m11.0./s1
InChIKeyRQPNCWOVJFSKDB-ILWOXUBCSA-N
MW2618.05 g/mol
LogP20.75
Rot. Bonds54

About (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine

(2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine (PubChem CID 163940542) has the molecular formula C129H186F13N27O16 and a molecular weight of 2618.05 g/mol. Its IUPAC name is (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine.

Molecular Properties

Compound Name(2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine
PubChem CID163940542
Molecular FormulaC129H186F13N27O16
Molecular Weight2618.05 g/mol
Exact Mass2616.44
IUPAC Name(2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine
SMILESCOc1cc2c(NCOC(C)=O)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCOC3(C)CNC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@@](C)(O)C(C)C)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@H](C)O[C@H](C)C(F)(F)F)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@](C)(CO)NC3CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H40F2N6O3.C26H36F5N5O3.C26H38F2N6O3.C26H39F2N5O3.C24H33F2N5O4/c1-26(18-36,32-19-6-7-19)33-24-20-16-22(37-2)23(38-15-5-12-34-10-3-4-11-34)17-21(20)30-25(31-24)35-13-8-27(28,29)9-14-35;1-17(26(29,30)31)39-18(2)32-23-19-15-21(37-3)22(38-14-6-11-35-9-4-5-10-35)16-20(19)33-24(34-23)36-12-7-25(27,28)8-13-36;1-25(16-29-17-25)37-18-30-23-19-14-21(35-2)22(36-13-5-10-33-8-3-4-9-33)15-20(19)31-24(32-23)34-11-6-26(27,28)7-12-34;1-18(2)25(3,34)31-23-19-16-21(35-4)22(36-15-7-12-32-10-5-6-11-32)17-20(19)29-24(30-23)33-13-8-26(27,28)9-14-33;1-17(32)35-16-27-22-18-14-20(33-2)21(34-13-5-10-30-8-3-4-9-30)15-19(18)28-23(29-22)31-11-6-24(25,26)7-12-31/h16-17,19,32,36H,3-15,18H2,1-2H3,(H,30,31,33);15-18H,4-14H2,1-3H3,(H,32,33,34);14-15,29H,3-13,16-18H2,1-2H3,(H,30,31,32);16-18,34H,5-15H2,1-4H3,(H,29,30,31);14-15H,3-13,16H2,1-2H3,(H,27,28,29)/t26-;17-,18+;;25-;/m11.0./s1
InChIKeyRQPNCWOVJFSKDB-ILWOXUBCSA-N
XLogP20.75
TPSA423.03 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds54
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002618.05
LogP ≤ 520.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]acetonitrile
CID 163826836
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(propan-2-ylsulfanylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163791606
N-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 166013265
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 165146435
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(2H-triazol-4-yl)quinazolin-4-amine
CID 165146472
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146439
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146430
N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2,4-thiadiazol-3-amine
CID 165146481
N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164628599
N-(1,1-dioxothian-4-yl)-6-methoxy-2-(4-methylpiperazin-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163809675
6-methoxy-2-(4-propan-2-yl-1,4-diazepan-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 53315861
2-(3,3-difluoroazetidin-1-yl)-6,7-dimethoxy-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
CID 122191700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine?
The IUPAC name of (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine (CID 163940542) is (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine.
What is the SMILES notation for (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine?
The canonical SMILES for (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine is COc1cc2c(NCOC(C)=O)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCOC3(C)CNC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@@](C)(O)C(C)C)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@H](C)O[C@H](C)C(F)(F)F)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@](C)(CO)NC3CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine?
The InChIKey is RQPNCWOVJFSKDB-ILWOXUBCSA-N. The full InChI is InChI=1S/C27H40F2N6O3.C26H36F5N5O3.C26H38F2N6O3.C26H39F2N5O3.C24H33F2N5O4/c1-26(18-36,32-19-6-7-19)33-24-20-16-22(37-2)23(38-15-5-12-34-10-3-4-11-34)17-21(20)30-25(31-24)35-13-8-27(28,29)9-14-35;1-17(26(29,30)31)39-18(2)32-23-19-15-21(37-3)22(38-14-6-11-35-9-4-5-10-35)16-20(19)33-24(34-23)36-12-7-25(27,28)8-13-36;1-25(16-29-17-25)37-18-30-23-19-14-21(35-2)22(36-13-5-10-33-8-3-4-9-33)15-20(19)31-24(32-23)34-11-6-26(27,28)7-12-34;1-18(2)25(3,34)31-23-19-16-21(35-4)22(36-15-7-12-32-10-5-6-11-32)17-20(19)29-24(30-23)33-13-8-26(27,28)9-14-33;1-17(32)35-16-27-22-18-14-20(33-2)21(34-13-5-10-30-8-3-4-9-30)15-19(18)28-23(29-22)31-11-6-24(25,26)7-12-31/h16-17,19,32,36H,3-15,18H2,1-2H3,(H,30,31,33);15-18H,4-14H2,1-3H3,(H,32,33,34);14-15,29H,3-13,16-18H2,1-2H3,(H,30,31,32);16-18,34H,5-15H2,1-4H3,(H,29,30,31);14-15H,3-13,16H2,1-2H3,(H,27,28,29)/t26-;17-,18+;;25-;/m11.0./s1.
What are the key properties of (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine?
(2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine has a molecular weight of 2618.05 g/mol, XLogP of 20.75, 54 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylamino)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]propan-1-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(3-methylazetidin-3-yl)oxymethyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]methyl acetate;(2S)-2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-3-methylbutan-2-ol;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]quinazolin-4-amine is sourced from PubChem (CID 163940542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).