N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide

C29H31N3O2 — CID 42715437

IUPACN-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(C(=O)C(CC)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-4-20-31(28(33)24(5-2)22-14-8-6-9-15-22)21(3)27-30-26-19-13-12-18-25(26)29(34)32(27)23-16-10-7-11-17-23/h6-19,21,24H,4-5,20H2,1-3H3
InChIKeyLYZHSJDPEQSFMF-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.88
Rot. Bonds8

About N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide

N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide (PubChem CID 42715437) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide
PubChem CID42715437
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(C(=O)C(CC)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-4-20-31(28(33)24(5-2)22-14-8-6-9-15-22)21(3)27-30-26-19-13-12-18-25(26)29(34)32(27)23-16-10-7-11-17-23/h6-19,21,24H,4-5,20H2,1-3H3
InChIKeyLYZHSJDPEQSFMF-UHFFFAOYSA-N
XLogP5.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[(2Z)-2-methoxypenta-2,4-dienyl]-2-phenylbutanamide
CID 142218873
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240
N-benzyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylbutanamide
CID 42719284
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42716065
3-tert-butyl-1-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42718042
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-2-methylpropanamide
CID 42716380
N-butyl-2-ethyl-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 42716087
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
2-methyl-N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42718091
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide?
The IUPAC name of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide (CID 42715437) is N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide.
What is the SMILES notation for N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide?
The canonical SMILES for N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide is CCCN(C(=O)C(CC)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide?
The InChIKey is LYZHSJDPEQSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-4-20-31(28(33)24(5-2)22-14-8-6-9-15-22)21(3)27-30-26-19-13-12-18-25(26)29(34)32(27)23-16-10-7-11-17-23/h6-19,21,24H,4-5,20H2,1-3H3.
What are the key properties of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide?
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide has a molecular weight of 453.59 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide is sourced from PubChem (CID 42715437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).