(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C19H16FN3O2 — CID 7332901

IUPAC(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21
InChIInChI=1S/C19H16FN3O2/c20-14-5-3-12(4-6-14)10-21-19-22-11-15-16(23-19)8-13(9-17(15)24)18-2-1-7-25-18/h1-7,11,13H,8-10H2,(H,21,22,23)/t13-/m0/s1
InChIKeyJXQYYKJSIYFZQU-ZDUSSCGKSA-N
MW337.35 g/mol
LogP3.73
Rot. Bonds4

About (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7332901) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7332901
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21
InChIInChI=1S/C19H16FN3O2/c20-14-5-3-12(4-6-14)10-21-19-22-11-15-16(23-19)8-13(9-17(15)24)18-2-1-7-25-18/h1-7,11,13H,8-10H2,(H,21,22,23)/t13-/m0/s1
InChIKeyJXQYYKJSIYFZQU-ZDUSSCGKSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 5297233
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2886839
(7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 1400850
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 7342552
N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
CID 2004861
1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea
CID 1314954
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2016380
2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3725042
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 7332901) is (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@@H](c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21.
What is the InChIKey of (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JXQYYKJSIYFZQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-14-5-3-12(4-6-14)10-21-19-22-11-15-16(23-19)8-13(9-17(15)24)18-2-1-7-25-18/h1-7,11,13H,8-10H2,(H,21,22,23)/t13-/m0/s1.
What are the key properties of (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 337.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).