4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide

C21H29N3O3 — CID 175944508

IUPAC4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCOc1cc2[nH]c(C)cc(=O)c2cc1N(C)C1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C21H29N3O3/c1-13-10-19(25)16-11-18(20(27-5)12-17(16)22-13)24(4)15-8-6-14(7-9-15)21(26)23(2)3/h10-12,14-15H,6-9H2,1-5H3,(H,22,25)
InChIKeyAHBIMLDDBWIBCN-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.93
Rot. Bonds4

About 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide

4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 175944508) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID175944508
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCOc1cc2[nH]c(C)cc(=O)c2cc1N(C)C1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C21H29N3O3/c1-13-10-19(25)16-11-18(20(27-5)12-17(16)22-13)24(4)15-8-6-14(7-9-15)21(26)23(2)3/h10-12,14-15H,6-9H2,1-5H3,(H,22,25)
InChIKeyAHBIMLDDBWIBCN-UHFFFAOYSA-N
XLogP2.93
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
CID 91665124
7-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-4-one
CID 131748418
methyl 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-ynoate
CID 170470285
4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
CID 115149418
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
CID 62702673
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
CID 113095892
4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782486

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide (CID 175944508) is 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide is COc1cc2[nH]c(C)cc(=O)c2cc1N(C)C1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is AHBIMLDDBWIBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13-10-19(25)16-11-18(20(27-5)12-17(16)22-13)24(4)15-8-6-14(7-9-15)21(26)23(2)3/h10-12,14-15H,6-9H2,1-5H3,(H,22,25).
What are the key properties of 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide?
4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-2-methyl-4-oxo-1H-quinolin-6-yl)-methylamino]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 175944508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).