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

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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).