N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide

C25H24ClN3O2 — CID 42713947

IUPACN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
SMILESCCCN(C(=O)c1ccc2ccccc2c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C25H24ClN3O2/c1-4-13-29(24(30)19-10-9-17-7-5-6-8-18(17)14-19)16(2)23-27-22-12-11-20(26)15-21(22)25(31)28(23)3/h5-12,14-16H,4,13H2,1-3H3
InChIKeyVMMXXGUTYBFJHQ-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.35
Rot. Bonds5

About N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide (PubChem CID 42713947) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
PubChem CID42713947
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
SMILESCCCN(C(=O)c1ccc2ccccc2c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C25H24ClN3O2/c1-4-13-29(24(30)19-10-9-17-7-5-6-8-18(17)14-19)16(2)23-27-22-12-11-20(26)15-21(22)25(31)28(23)3/h5-12,14-16H,4,13H2,1-3H3
InChIKeyVMMXXGUTYBFJHQ-UHFFFAOYSA-N
XLogP5.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-(2-methoxyethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-2-carboxamide
CID 42711604
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 42714182
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 42713909
N-methyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-2-carboxamide
CID 42711578
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42714026
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide?
The IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide (CID 42713947) is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide is CCCN(C(=O)c1ccc2ccccc2c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide?
The InChIKey is VMMXXGUTYBFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-4-13-29(24(30)19-10-9-17-7-5-6-8-18(17)14-19)16(2)23-27-22-12-11-20(26)15-21(22)25(31)28(23)3/h5-12,14-16H,4,13H2,1-3H3.
What are the key properties of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide?
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide is sourced from PubChem (CID 42713947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).