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

C24H29ClN4O3 — CID 42714597

IUPACN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
SMILESCCn1c(C(C)N(CCN(C)C)C(=O)c2cccc(OC)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H29ClN4O3/c1-6-28-22(26-21-15-18(25)10-11-20(21)24(28)31)16(2)29(13-12-27(3)4)23(30)17-8-7-9-19(14-17)32-5/h7-11,14-16H,6,12-13H2,1-5H3
InChIKeyRYEBTCIHGALPIQ-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.84
Rot. Bonds8

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

N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide (PubChem CID 42714597) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
PubChem CID42714597
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
SMILESCCn1c(C(C)N(CCN(C)C)C(=O)c2cccc(OC)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C24H29ClN4O3/c1-6-28-22(26-21-15-18(25)10-11-20(21)24(28)31)16(2)29(13-12-27(3)4)23(30)17-8-7-9-19(14-17)32-5/h7-11,14-16H,6,12-13H2,1-5H3
InChIKeyRYEBTCIHGALPIQ-UHFFFAOYSA-N
XLogP3.84
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide with MolForge

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Related Compounds

3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
CID 42712390
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 42714182
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide
CID 42714590
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
CID 42720133
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(3-methoxyphenyl)-1-propylurea
CID 42712970
3-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42728275
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
CID 42714210
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369
3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42729100

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide (CID 42714597) is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide is CCn1c(C(C)N(CCN(C)C)C(=O)c2cccc(OC)c2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide?
The InChIKey is RYEBTCIHGALPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-6-28-22(26-21-15-18(25)10-11-20(21)24(28)31)16(2)29(13-12-27(3)4)23(30)17-8-7-9-19(14-17)32-5/h7-11,14-16H,6,12-13H2,1-5H3.
What are the key properties of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide?
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide has a molecular weight of 456.97 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 42714597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).