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

C27H35N3O2 — CID 7236971

IUPACN-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
SMILESCc1ccc(-n2c([C@@H](C)N(CC(C)C)C(=O)CC(C)C)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C27H35N3O2/c1-17(2)14-25(31)29(16-18(3)4)21(7)26-28-23-11-9-8-10-22(23)27(32)30(26)24-13-12-19(5)15-20(24)6/h8-13,15,17-18,21H,14,16H2,1-7H3/t21-/m1/s1
InChIKeyMRXPBVPZSIPGGU-OAQYLSRUSA-N
MW433.60 g/mol
LogP5.59
Rot. Bonds7

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

N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 7236971) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID7236971
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
SMILESCc1ccc(-n2c([C@@H](C)N(CC(C)C)C(=O)CC(C)C)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C27H35N3O2/c1-17(2)14-25(31)29(16-18(3)4)21(7)26-28-23-11-9-8-10-22(23)27(32)30(26)24-13-12-19(5)15-20(24)6/h8-13,15,17-18,21H,14,16H2,1-7H3/t21-/m1/s1
InChIKeyMRXPBVPZSIPGGU-OAQYLSRUSA-N
XLogP5.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide with MolForge

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Related Compounds

N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42719958
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
2-chloro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718336
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
CID 42720645
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 42720523
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42720522
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methylbutanamide
CID 42723592
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
CID 42723641
N,3-dimethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42718190
3-tert-butyl-1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42720657
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42720542

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide (CID 7236971) is N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide is Cc1ccc(-n2c([C@@H](C)N(CC(C)C)C(=O)CC(C)C)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is MRXPBVPZSIPGGU-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-17(2)14-25(31)29(16-18(3)4)21(7)26-28-23-11-9-8-10-22(23)27(32)30(26)24-13-12-19(5)15-20(24)6/h8-13,15,17-18,21H,14,16H2,1-7H3/t21-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide?
N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 433.60 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 7236971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).