N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide

C27H27N3O2 — CID 1060280

IUPACN-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
SMILESCc1ccc(-n2c([C@@H](C)N(C)C(=O)Cc3ccccc3)nc3ccccc3c2=O)cc1C
InChIInChI=1S/C27H27N3O2/c1-18-14-15-22(16-19(18)2)30-26(28-24-13-9-8-12-23(24)27(30)32)20(3)29(4)25(31)17-21-10-6-5-7-11-21/h5-16,20H,17H2,1-4H3/t20-/m1/s1
InChIKeyWELJQEKWBWSMCW-HXUWFJFHSA-N
MW425.53 g/mol
LogP4.76
Rot. Bonds5

About N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide

N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide (PubChem CID 1060280) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
PubChem CID1060280
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
SMILESCc1ccc(-n2c([C@@H](C)N(C)C(=O)Cc3ccccc3)nc3ccccc3c2=O)cc1C
InChIInChI=1S/C27H27N3O2/c1-18-14-15-22(16-19(18)2)30-26(28-24-13-9-8-12-23(24)27(30)32)20(3)29(4)25(31)17-21-10-6-5-7-11-21/h5-16,20H,17H2,1-4H3/t20-/m1/s1
InChIKeyWELJQEKWBWSMCW-HXUWFJFHSA-N
XLogP4.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
CID 42721554
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
CID 3629447
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-phenylethyl)benzamide
CID 3629448
2-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylacetamide
CID 3905892
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpentanamide
CID 42719458
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-methylurea
CID 3297749
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylfuran-2-carboxamide
CID 42719459
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N,3-dimethylbutanamide
CID 42716375
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylpentanamide
CID 42721715
4-butyl-N-[2-(dimethylamino)ethyl]-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719503
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylbutanamide
CID 42719333
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylhexanamide
CID 42721726

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide (CID 1060280) is N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide is Cc1ccc(-n2c([C@@H](C)N(C)C(=O)Cc3ccccc3)nc3ccccc3c2=O)cc1C.
What is the InChIKey of N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide?
The InChIKey is WELJQEKWBWSMCW-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-18-14-15-22(16-19(18)2)30-26(28-24-13-9-8-12-23(24)27(30)32)20(3)29(4)25(31)17-21-10-6-5-7-11-21/h5-16,20H,17H2,1-4H3/t20-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide?
N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide has a molecular weight of 425.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 1060280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).