N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide

C24H35ClN4O2 — CID 42714590

IUPACN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCCn1c(C(C)N(CCN(C)C)C(=O)CCC2CCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H35ClN4O2/c1-5-28-23(26-21-16-19(25)11-12-20(21)24(28)31)17(2)29(15-14-27(3)4)22(30)13-10-18-8-6-7-9-18/h11-12,16-18H,5-10,13-15H2,1-4H3
InChIKeyJWSNWZLRIKFYJV-UHFFFAOYSA-N
MW447.02 g/mol
LogP4.49
Rot. Bonds9

About N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide

N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 42714590) has the molecular formula C24H35ClN4O2 and a molecular weight of 447.02 g/mol. Its IUPAC name is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID42714590
Molecular FormulaC24H35ClN4O2
Molecular Weight447.02 g/mol
Exact Mass446.24
IUPAC NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCCn1c(C(C)N(CCN(C)C)C(=O)CCC2CCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H35ClN4O2/c1-5-28-23(26-21-16-19(25)11-12-20(21)24(28)31)17(2)29(15-14-27(3)4)22(30)13-10-18-8-6-7-9-18/h11-12,16-18H,5-10,13-15H2,1-4H3
InChIKeyJWSNWZLRIKFYJV-UHFFFAOYSA-N
XLogP4.49
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.02
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
CID 42714210
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 42714597
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-propylpropanamide
CID 42717337
3-cyclopentyl-N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42713203
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide
CID 42717743
3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
CID 42712390
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide (CID 42714590) is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide is CCn1c(C(C)N(CCN(C)C)C(=O)CCC2CCCC2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is JWSNWZLRIKFYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O2/c1-5-28-23(26-21-16-19(25)11-12-20(21)24(28)31)17(2)29(15-14-27(3)4)22(30)13-10-18-8-6-7-9-18/h11-12,16-18H,5-10,13-15H2,1-4H3.
What are the key properties of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide?
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 447.02 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 42714590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).