2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide

C25H31N3O2 — CID 42718469

IUPAC2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(-n2c(C(C)N(CC(C)C)C(=O)C(C)C)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H31N3O2/c1-16(2)15-27(24(29)17(3)4)19(6)23-26-22-13-8-7-12-21(22)25(30)28(23)20-11-9-10-18(5)14-20/h7-14,16-17,19H,15H2,1-6H3
InChIKeyXRKBPLVZZLMLIC-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.90
Rot. Bonds6

About 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide

2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide (PubChem CID 42718469) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
PubChem CID42718469
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(-n2c(C(C)N(CC(C)C)C(=O)C(C)C)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H31N3O2/c1-16(2)15-27(24(29)17(3)4)19(6)23-26-22-13-8-7-12-21(22)25(30)28(23)20-11-9-10-18(5)14-20/h7-14,16-17,19H,15H2,1-6H3
InChIKeyXRKBPLVZZLMLIC-UHFFFAOYSA-N
XLogP4.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dichloro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718464
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718299
3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718297
3,4,5-trimethoxy-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42718474
4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719036
2-methyl-N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42718091
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42719085
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
CID 3883776
3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42657541
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 3293377
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide (CID 42718469) is 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide is Cc1cccc(-n2c(C(C)N(CC(C)C)C(=O)C(C)C)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide?
The InChIKey is XRKBPLVZZLMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-16(2)15-27(24(29)17(3)4)19(6)23-26-22-13-8-7-12-21(22)25(30)28(23)20-11-9-10-18(5)14-20/h7-14,16-17,19H,15H2,1-6H3.
What are the key properties of 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide?
2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide has a molecular weight of 405.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 42718469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).