(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one

C21H21N3O4 — CID 7740914

IUPAC(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)c(OC)c1
InChIInChI=1S/C21H21N3O4/c1-26-14-5-6-16(20(10-14)27-2)13-8-18-17(19(25)9-13)12-23-21(24-18)22-11-15-4-3-7-28-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,22,23,24)/t13-/m0/s1
InChIKeyVWNFYKMEXTUOQE-ZDUSSCGKSA-N
MW379.42 g/mol
LogP3.61
Rot. Bonds6

About (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7740914) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7740914
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)c(OC)c1
InChIInChI=1S/C21H21N3O4/c1-26-14-5-6-16(20(10-14)27-2)13-8-18-17(19(25)9-13)12-23-21(24-18)22-11-15-4-3-7-28-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,22,23,24)/t13-/m0/s1
InChIKeyVWNFYKMEXTUOQE-ZDUSSCGKSA-N
XLogP3.61
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629638
(7R)-2-anilino-7-(2,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629810
(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2016380
(7S)-7-(2,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40900113
N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
CID 2004861
(7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 1402026
(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7332901
2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 5297233
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 7342552
N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide
CID 40665128
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 5174165

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 7740914) is (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)c(OC)c1.
What is the InChIKey of (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VWNFYKMEXTUOQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-14-5-6-16(20(10-14)27-2)13-8-18-17(19(25)9-13)12-23-21(24-18)22-11-15-4-3-7-28-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 379.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7740914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).