N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide

C21H29N3O2 — CID 42711907

IUPACN-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(C(=O)C1CCCC1)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C21H29N3O2/c1-4-14-24(20(25)15-10-6-7-11-15)18(5-2)19-22-17-13-9-8-12-16(17)21(26)23(19)3/h8-9,12-13,15,18H,4-7,10-11,14H2,1-3H3
InChIKeyZPRKWMKTEMMRJQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.81
Rot. Bonds6

About N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide

N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide (PubChem CID 42711907) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
PubChem CID42711907
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(C(=O)C1CCCC1)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C21H29N3O2/c1-4-14-24(20(25)15-10-6-7-11-15)18(5-2)19-22-17-13-9-8-12-16(17)21(26)23(19)3/h8-9,12-13,15,18H,4-7,10-11,14H2,1-3H3
InChIKeyZPRKWMKTEMMRJQ-UHFFFAOYSA-N
XLogP3.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]cyclopropanecarboxamide
CID 42711971
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
CID 42719848
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
CID 42722929
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide
CID 42713487
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42711898

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide?
The IUPAC name of N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide (CID 42711907) is N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide is CCCN(C(=O)C1CCCC1)C(CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide?
The InChIKey is ZPRKWMKTEMMRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-14-24(20(25)15-10-6-7-11-15)18(5-2)19-22-17-13-9-8-12-16(17)21(26)23(19)3/h8-9,12-13,15,18H,4-7,10-11,14H2,1-3H3.
What are the key properties of N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide?
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide is sourced from PubChem (CID 42711907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).