7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine

C95H96F4N30O3 — CID 159626861

IUPAC7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
SMILESCOc1ccc2c(N[C@H](C)c3ccccn3)nc(N)nc2c1.COc1cccc2nc(N)nc(N[C@H](C)c3ccccn3)c12.COc1cccc2nc(N)nc(N[C@H](c3ccccn3)C(F)(F)F)c12.C[C@@H](Nc1cc(F)cc2nc(N)ncc12)c1ccccn1.Cc1ccc2c(N[C@H](C)c3ccccn3)nc(N)nc2c1.Cc1cccc2nc(N)nc(N[C@H](C)c3ccccn3)c12
InChIInChI=1S/C16H14F3N5O.2C16H17N5O.2C16H17N5.C15H14FN5/c1-25-11-7-4-6-9-12(11)14(24-15(20)22-9)23-13(16(17,18)19)10-5-2-3-8-21-10;1-10(11-6-3-4-9-18-11)19-15-14-12(20-16(17)21-15)7-5-8-13(14)22-2;1-10(13-5-3-4-8-18-13)19-15-12-7-6-11(22-2)9-14(12)20-16(17)21-15;1-10-6-5-8-13-14(10)15(21-16(17)20-13)19-11(2)12-7-3-4-9-18-12;1-10-6-7-12-14(9-10)20-16(17)21-15(12)19-11(2)13-5-3-4-8-18-13;1-9(12-4-2-3-5-18-12)20-13-6-10(16)7-14-11(13)8-19-15(17)21-14/h2-8,13H,1H3,(H3,20,22,23,24);2*3-10H,1-2H3,(H3,17,19,20,21);2*3-9,11H,1-2H3,(H3,17,19,20,21);2-9,20H,1H3,(H2,17,19,21)/t13-;2*10-;2*11-;9-/m111111/s1
InChIKeyMOPLKNCWDCQJLI-YQXQXJEBSA-N
MW1782.01 g/mol
LogP18.00
Rot. Bonds21

About 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine

7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine (PubChem CID 159626861) has the molecular formula C95H96F4N30O3 and a molecular weight of 1782.01 g/mol. Its IUPAC name is 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
PubChem CID159626861
Molecular FormulaC95H96F4N30O3
Molecular Weight1782.01 g/mol
Exact Mass1780.82
IUPAC Name7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
SMILESCOc1ccc2c(N[C@H](C)c3ccccn3)nc(N)nc2c1.COc1cccc2nc(N)nc(N[C@H](C)c3ccccn3)c12.COc1cccc2nc(N)nc(N[C@H](c3ccccn3)C(F)(F)F)c12.C[C@@H](Nc1cc(F)cc2nc(N)ncc12)c1ccccn1.Cc1ccc2c(N[C@H](C)c3ccccn3)nc(N)nc2c1.Cc1cccc2nc(N)nc(N[C@H](C)c3ccccn3)c12
InChIInChI=1S/C16H14F3N5O.2C16H17N5O.2C16H17N5.C15H14FN5/c1-25-11-7-4-6-9-12(11)14(24-15(20)22-9)23-13(16(17,18)19)10-5-2-3-8-21-10;1-10(11-6-3-4-9-18-11)19-15-14-12(20-16(17)21-15)7-5-8-13(14)22-2;1-10(13-5-3-4-8-18-13)19-15-12-7-6-11(22-2)9-14(12)20-16(17)21-15;1-10-6-5-8-13-14(10)15(21-16(17)20-13)19-11(2)12-7-3-4-9-18-12;1-10-6-7-12-14(9-10)20-16(17)21-15(12)19-11(2)13-5-3-4-8-18-13;1-9(12-4-2-3-5-18-12)20-13-6-10(16)7-14-11(13)8-19-15(17)21-14/h2-8,13H,1H3,(H3,20,22,23,24);2*3-10H,1-2H3,(H3,17,19,20,21);2*3-9,11H,1-2H3,(H3,17,19,20,21);2-9,20H,1H3,(H2,17,19,21)/t13-;2*10-;2*11-;9-/m111111/s1
InChIKeyMOPLKNCWDCQJLI-YQXQXJEBSA-N
XLogP18.00
TPSA488.01 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001782.01
LogP ≤ 518.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine 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

N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
4-Aminoquinazoline derivative, 6a
CID 50898518
Dnmt-IN-3
CID 117976176
4-Aminoquinazoline derivative, 6b
CID 50898519
(1S,3S)-N1-(isoquinolin-4-ylmethyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 44442118
N-phenyl-N'-[7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-yl]ethane-1,2-diamine
CID 117967660
N-[2-(4-methoxyphenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967691
N-(2-phenylethyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117976066
N-(3-naphthalen-1-ylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 137638632
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-6-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967576
7-(3-((2-(Quinolin-4-ylamino)ethyl)amino)propyloxy)-4-((3-phenylpropyl)amino)quinazoline
CID 117967641

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
The IUPAC name of 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine (CID 159626861) is 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
The canonical SMILES for 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine is COc1ccc2c(N[C@H](C)c3ccccn3)nc(N)nc2c1.COc1cccc2nc(N)nc(N[C@H](C)c3ccccn3)c12.COc1cccc2nc(N)nc(N[C@H](c3ccccn3)C(F)(F)F)c12.C[C@@H](Nc1cc(F)cc2nc(N)ncc12)c1ccccn1.Cc1ccc2c(N[C@H](C)c3ccccn3)nc(N)nc2c1.Cc1cccc2nc(N)nc(N[C@H](C)c3ccccn3)c12.
What is the InChIKey of 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
The InChIKey is MOPLKNCWDCQJLI-YQXQXJEBSA-N. The full InChI is InChI=1S/C16H14F3N5O.2C16H17N5O.2C16H17N5.C15H14FN5/c1-25-11-7-4-6-9-12(11)14(24-15(20)22-9)23-13(16(17,18)19)10-5-2-3-8-21-10;1-10(11-6-3-4-9-18-11)19-15-14-12(20-16(17)21-15)7-5-8-13(14)22-2;1-10(13-5-3-4-8-18-13)19-15-12-7-6-11(22-2)9-14(12)20-16(17)21-15;1-10-6-5-8-13-14(10)15(21-16(17)20-13)19-11(2)12-7-3-4-9-18-12;1-10-6-7-12-14(9-10)20-16(17)21-15(12)19-11(2)13-5-3-4-8-18-13;1-9(12-4-2-3-5-18-12)20-13-6-10(16)7-14-11(13)8-19-15(17)21-14/h2-8,13H,1H3,(H3,20,22,23,24);2*3-10H,1-2H3,(H3,17,19,20,21);2*3-9,11H,1-2H3,(H3,17,19,20,21);2-9,20H,1H3,(H2,17,19,21)/t13-;2*10-;2*11-;9-/m111111/s1.
What are the key properties of 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine has a molecular weight of 1782.01 g/mol, XLogP of 18.00, 21 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 159626861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).