N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide

C24H29ClN4O4 — CID 42714182

IUPACN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCN(C)C)C(C)c2nc3ccc(Cl)cc3c(=O)n2C)c1
InChIInChI=1S/C24H29ClN4O4/c1-15(22-26-21-8-7-17(25)13-20(21)24(31)28(22)4)29(10-9-27(2)3)23(30)16-11-18(32-5)14-19(12-16)33-6/h7-8,11-15H,9-10H2,1-6H3
InChIKeyVJFGVWGULWKCBX-UHFFFAOYSA-N
MW472.97 g/mol
LogP3.37
Rot. Bonds8

About N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 42714182) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
PubChem CID42714182
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCN(C)C)C(C)c2nc3ccc(Cl)cc3c(=O)n2C)c1
InChIInChI=1S/C24H29ClN4O4/c1-15(22-26-21-8-7-17(25)13-20(21)24(31)28(22)4)29(10-9-27(2)3)23(30)16-11-18(32-5)14-19(12-16)33-6/h7-8,11-15H,9-10H2,1-6H3
InChIKeyVJFGVWGULWKCBX-UHFFFAOYSA-N
XLogP3.37
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 42714597
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea
CID 42715226
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
CID 42728218
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42714963
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42713998

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide (CID 42714182) is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(CCN(C)C)C(C)c2nc3ccc(Cl)cc3c(=O)n2C)c1.
What is the InChIKey of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is VJFGVWGULWKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-15(22-26-21-8-7-17(25)13-20(21)24(31)28(22)4)29(10-9-27(2)3)23(30)16-11-18(32-5)14-19(12-16)33-6/h7-8,11-15H,9-10H2,1-6H3.
What are the key properties of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 472.97 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 42714182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).