N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide

C25H25N3O2 — CID 2021087

IUPACN-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide
SMILESCC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1
InChIInChI=1S/C25H25N3O2/c1-16(2)18-8-10-19(11-9-18)20-13-22-21(23(29)14-20)15-26-25(27-22)28-24(30)12-17-6-4-3-5-7-17/h3-11,15-16,20H,12-14H2,1-2H3,(H,26,27,28,30)/t20-/m1/s1
InChIKeyMQMRWVKAIYNIIQ-HXUWFJFHSA-N
MW399.49 g/mol
LogP4.69
Rot. Bonds5

About N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide

N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide (PubChem CID 2021087) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide
PubChem CID2021087
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide
SMILESCC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1
InChIInChI=1S/C25H25N3O2/c1-16(2)18-8-10-19(11-9-18)20-13-22-21(23(29)14-20)15-26-25(27-22)28-24(30)12-17-6-4-3-5-7-17/h3-11,15-16,20H,12-14H2,1-2H3,(H,26,27,28,30)/t20-/m1/s1
InChIKeyMQMRWVKAIYNIIQ-HXUWFJFHSA-N
XLogP4.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide with MolForge

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Related Compounds

4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2005385
3-methyl-N-[(7S)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2026558
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 1491873
(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2016380
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
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577
N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
CID 2985635
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 2022304

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide (CID 2021087) is N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide is CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1.
What is the InChIKey of N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide?
The InChIKey is MQMRWVKAIYNIIQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16(2)18-8-10-19(11-9-18)20-13-22-21(23(29)14-20)15-26-25(27-22)28-24(30)12-17-6-4-3-5-7-17/h3-11,15-16,20H,12-14H2,1-2H3,(H,26,27,28,30)/t20-/m1/s1.
What are the key properties of N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide?
N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide has a molecular weight of 399.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 2021087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).