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

C22H23N3O2 — CID 2016380

IUPAC(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC(C)c1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1
InChIInChI=1S/C22H23N3O2/c1-14(2)15-5-7-16(8-6-15)17-10-20-19(21(26)11-17)13-24-22(25-20)23-12-18-4-3-9-27-18/h3-9,13-14,17H,10-12H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyNUVAVMVJCTYMPS-KRWDZBQOSA-N
MW361.45 g/mol
LogP4.72
Rot. Bonds5

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

(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2016380) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2016380
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC(C)c1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1
InChIInChI=1S/C22H23N3O2/c1-14(2)15-5-7-16(8-6-15)17-10-20-19(21(26)11-17)13-24-22(25-20)23-12-18-4-3-9-27-18/h3-9,13-14,17H,10-12H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyNUVAVMVJCTYMPS-KRWDZBQOSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide
CID 2021087
(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7740914
4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2005385
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577
(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
4-nitro-N-[(7S)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 1424137
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3987266
(7S)-2-(butylamino)-7-[4-(dimethylamino)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7342549
(7S)-2-(4-ethylpiperazin-4-ium-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2035840
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 2016380) is (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one is CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1.
What is the InChIKey of (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NUVAVMVJCTYMPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14(2)15-5-7-16(8-6-15)17-10-20-19(21(26)11-17)13-24-22(25-20)23-12-18-4-3-9-27-18/h3-9,13-14,17H,10-12H2,1-2H3,(H,23,24,25)/t17-/m0/s1.
What are the key properties of (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 361.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2016380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).