2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine

C78H88F3N15O13 — CID 172918687

IUPAC2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
SMILESCC1(C)OC[C@H](CON)O1.COc1cccc(-c2cc(F)ccc2C2C/C(=N\OC[C@H](O)CO)c3c(C)nc(N)nc3C2)n1.COc1cccc(-c2cc(F)ccc2C2C/C(=N\OC[C@H]3COC(C)(C)O3)c3c(C)nc(N)nc3C2)n1.COc1cccc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C27H30FN5O4.C24H26FN5O4.C21H19FN4O2.C6H13NO3/c1-15-25-22(32-26(29)30-15)10-16(11-23(25)33-36-14-18-13-35-27(2,3)37-18)19-9-8-17(28)12-20(19)21-6-5-7-24(31-21)34-4;1-13-23-20(29-24(26)27-13)8-14(9-21(23)30-34-12-16(32)11-31)17-7-6-15(25)10-18(17)19-4-3-5-22(28-19)33-2;1-11-20-17(26-21(23)24-11)8-12(9-18(20)27)14-7-6-13(22)10-15(14)16-4-3-5-19(25-16)28-2;1-6(2)8-3-5(10-6)4-9-7/h5-9,12,16,18H,10-11,13-14H2,1-4H3,(H2,29,30,32);3-7,10,14,16,31-32H,8-9,11-12H2,1-2H3,(H2,26,27,29);3-7,10,12H,8-9H2,1-2H3,(H2,23,24,26);5H,3-4,7H2,1-2H3/b33-23+;30-21+;;/t16?,18-;14?,16-;;5-/m11.1/s1
InChIKeyMEMCHGJRZLZAHS-ZOVNVYPGSA-N
MW1500.65 g/mol
LogP10.08
Rot. Bonds18

About 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine

2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine (PubChem CID 172918687) has the molecular formula C78H88F3N15O13 and a molecular weight of 1500.65 g/mol. Its IUPAC name is 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound Name2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
PubChem CID172918687
Molecular FormulaC78H88F3N15O13
Molecular Weight1500.65 g/mol
Exact Mass1499.66
IUPAC Name2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
SMILESCC1(C)OC[C@H](CON)O1.COc1cccc(-c2cc(F)ccc2C2C/C(=N\OC[C@H](O)CO)c3c(C)nc(N)nc3C2)n1.COc1cccc(-c2cc(F)ccc2C2C/C(=N\OC[C@H]3COC(C)(C)O3)c3c(C)nc(N)nc3C2)n1.COc1cccc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1
InChIInChI=1S/C27H30FN5O4.C24H26FN5O4.C21H19FN4O2.C6H13NO3/c1-15-25-22(32-26(29)30-15)10-16(11-23(25)33-36-14-18-13-35-27(2,3)37-18)19-9-8-17(28)12-20(19)21-6-5-7-24(31-21)34-4;1-13-23-20(29-24(26)27-13)8-14(9-21(23)30-34-12-16(32)11-31)17-7-6-15(25)10-18(17)19-4-3-5-22(28-19)33-2;1-11-20-17(26-21(23)24-11)8-12(9-18(20)27)14-7-6-13(22)10-15(14)16-4-3-5-19(25-16)28-2;1-6(2)8-3-5(10-6)4-9-7/h5-9,12,16,18H,10-11,13-14H2,1-4H3,(H2,29,30,32);3-7,10,14,16,31-32H,8-9,11-12H2,1-2H3,(H2,26,27,29);3-7,10,12H,8-9H2,1-2H3,(H2,23,24,26);5H,3-4,7H2,1-2H3/b33-23+;30-21+;;/t16?,18-;14?,16-;;5-/m11.1/s1
InChIKeyMEMCHGJRZLZAHS-ZOVNVYPGSA-N
XLogP10.08
TPSA394.64 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001500.65
LogP ≤ 510.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine?
The IUPAC name of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine (CID 172918687) is 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine.
What is the SMILES notation for 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine?
The canonical SMILES for 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine is CC1(C)OC[C@H](CON)O1.COc1cccc(-c2cc(F)ccc2C2C/C(=N\OC[C@H](O)CO)c3c(C)nc(N)nc3C2)n1.COc1cccc(-c2cc(F)ccc2C2C/C(=N\OC[C@H]3COC(C)(C)O3)c3c(C)nc(N)nc3C2)n1.COc1cccc(-c2cc(F)ccc2C2CC(=O)c3c(C)nc(N)nc3C2)n1.
What is the InChIKey of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine?
The InChIKey is MEMCHGJRZLZAHS-ZOVNVYPGSA-N. The full InChI is InChI=1S/C27H30FN5O4.C24H26FN5O4.C21H19FN4O2.C6H13NO3/c1-15-25-22(32-26(29)30-15)10-16(11-23(25)33-36-14-18-13-35-27(2,3)37-18)19-9-8-17(28)12-20(19)21-6-5-7-24(31-21)34-4;1-13-23-20(29-24(26)27-13)8-14(9-21(23)30-34-12-16(32)11-31)17-7-6-15(25)10-18(17)19-4-3-5-22(28-19)33-2;1-11-20-17(26-21(23)24-11)8-12(9-18(20)27)14-7-6-13(22)10-15(14)16-4-3-5-19(25-16)28-2;1-6(2)8-3-5(10-6)4-9-7/h5-9,12,16,18H,10-11,13-14H2,1-4H3,(H2,29,30,32);3-7,10,14,16,31-32H,8-9,11-12H2,1-2H3,(H2,26,27,29);3-7,10,12H,8-9H2,1-2H3,(H2,23,24,26);5H,3-4,7H2,1-2H3/b33-23+;30-21+;;/t16?,18-;14?,16-;;5-/m11.1/s1.
What are the key properties of 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine?
2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine has a molecular weight of 1500.65 g/mol, XLogP of 10.08, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 172918687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).