(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one

C19H20ClN3O2 — CID 2040784

IUPAC(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(NC[C@@H]3CCCO3)ncc21
InChIInChI=1S/C19H20ClN3O2/c20-14-4-1-3-12(7-14)13-8-17-16(18(24)9-13)11-22-19(23-17)21-10-15-5-2-6-25-15/h1,3-4,7,11,13,15H,2,5-6,8-10H2,(H,21,22,23)/t13-,15-/m0/s1
InChIKeyWFCGOGAFMYDIAT-ZFWWWQNUSA-N
MW357.84 g/mol
LogP3.63
Rot. Bonds4

About (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2040784) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2040784
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(NC[C@@H]3CCCO3)ncc21
InChIInChI=1S/C19H20ClN3O2/c20-14-4-1-3-12(7-14)13-8-17-16(18(24)9-13)11-22-19(23-17)21-10-15-5-2-6-25-15/h1,3-4,7,11,13,15H,2,5-6,8-10H2,(H,21,22,23)/t13-,15-/m0/s1
InChIKeyWFCGOGAFMYDIAT-ZFWWWQNUSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 41001761
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
CID 7354491
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
N-[7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-nitrobenzamide
CID 4919434
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2003040
3-N-(3-chlorophenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944446
N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 69232407
2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 118389307

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one (CID 2040784) is (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(NC[C@@H]3CCCO3)ncc21.
What is the InChIKey of (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WFCGOGAFMYDIAT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-14-4-1-3-12(7-14)13-8-17-16(18(24)9-13)11-22-19(23-17)21-10-15-5-2-6-25-15/h1,3-4,7,11,13,15H,2,5-6,8-10H2,(H,21,22,23)/t13-,15-/m0/s1.
What are the key properties of (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 357.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2040784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).