N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide

C23H27N3O2 — CID 42711673

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)C(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C23H27N3O2/c1-5-15-26(22(27)18-13-11-16(3)12-14-18)17(4)21-24-20-10-8-7-9-19(20)23(28)25(21)6-2/h7-14,17H,5-6,15H2,1-4H3
InChIKeyKQTATBANHIYTSY-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.34
Rot. Bonds6

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide (PubChem CID 42711673) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
PubChem CID42711673
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)C(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C23H27N3O2/c1-5-15-26(22(27)18-13-11-16(3)12-14-18)17(4)21-24-20-10-8-7-9-19(20)23(28)25(21)6-2/h7-14,17H,5-6,15H2,1-4H3
InChIKeyKQTATBANHIYTSY-UHFFFAOYSA-N
XLogP4.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
CID 42718039
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-propylbenzamide
CID 42720516
4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42725664
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-pentylbenzamide
CID 42716796
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)-4-nitrobenzamide
CID 42711616
3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42729100
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-ethyl-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methylbenzamide
CID 42722015

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide (CID 42711673) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)cc1)C(C)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide?
The InChIKey is KQTATBANHIYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-15-26(22(27)18-13-11-16(3)12-14-18)17(4)21-24-20-10-8-7-9-19(20)23(28)25(21)6-2/h7-14,17H,5-6,15H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 42711673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).