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

C18H24ClN3O2 — CID 42713927

IUPACN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C18H24ClN3O2/c1-5-7-16(23)22(10-6-2)12(3)17-20-15-9-8-13(19)11-14(15)18(24)21(17)4/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyYKEDPRXPCKKYTP-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.69
Rot. Bonds6

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

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide (PubChem CID 42713927) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
PubChem CID42713927
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C18H24ClN3O2/c1-5-7-16(23)22(10-6-2)12(3)17-20-15-9-8-13(19)11-14(15)18(24)21(17)4/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyYKEDPRXPCKKYTP-UHFFFAOYSA-N
XLogP3.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
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-propylnaphthalene-2-carboxamide
CID 42713947
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 42713909
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
CID 42712294

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide?
The IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide (CID 42713927) is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide.
What is the SMILES notation for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide?
The canonical SMILES for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide is CCCC(=O)N(CCC)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide?
The InChIKey is YKEDPRXPCKKYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-5-7-16(23)22(10-6-2)12(3)17-20-15-9-8-13(19)11-14(15)18(24)21(17)4/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide?
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide has a molecular weight of 349.86 g/mol, XLogP of 3.69, 6 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-propylbutanamide is sourced from PubChem (CID 42713927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).