N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide

C23H26ClN3O2 — CID 42711871

IUPACN-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
SMILESCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H26ClN3O2/c1-4-6-15-27(23(29)16-11-7-9-13-18(16)24)20(5-2)21-25-19-14-10-8-12-17(19)22(28)26(21)3/h7-14,20H,4-6,15H2,1-3H3
InChIKeyCTQYMTJIIZQBMA-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.98
Rot. Bonds7

About N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide

N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide (PubChem CID 42711871) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
PubChem CID42711871
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
SMILESCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H26ClN3O2/c1-4-6-15-27(23(29)16-11-7-9-13-18(16)24)20(5-2)21-25-19-14-10-8-12-17(19)22(28)26(21)3/h7-14,20H,4-6,15H2,1-3H3
InChIKeyCTQYMTJIIZQBMA-UHFFFAOYSA-N
XLogP4.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42711898
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42714610
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
CID 42711941
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
CID 42711907

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
The IUPAC name of N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide (CID 42711871) is N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide.
What is the SMILES notation for N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
The canonical SMILES for N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide is CCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
The InChIKey is CTQYMTJIIZQBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-4-6-15-27(23(29)16-11-7-9-13-18(16)24)20(5-2)21-25-19-14-10-8-12-17(19)22(28)26(21)3/h7-14,20H,4-6,15H2,1-3H3.
What are the key properties of N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide has a molecular weight of 411.93 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide is sourced from PubChem (CID 42711871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).