1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide

C29H37N3O2 — CID 146952436

IUPAC1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide
SMILESCCCc1cc(N(C)C(=O)c2ccc3c(c2)c(C2CCN(C)CC2)cc(=O)n3CC)ccc1C
InChIInChI=1S/C29H37N3O2/c1-6-8-22-17-24(11-9-20(22)3)31(5)29(34)23-10-12-27-26(18-23)25(19-28(33)32(27)7-2)21-13-15-30(4)16-14-21/h9-12,17-19,21H,6-8,13-16H2,1-5H3
InChIKeyAIZHFWKEZVZJDF-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.37
Rot. Bonds6

About 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide

1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide (PubChem CID 146952436) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide
PubChem CID146952436
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide
SMILESCCCc1cc(N(C)C(=O)c2ccc3c(c2)c(C2CCN(C)CC2)cc(=O)n3CC)ccc1C
InChIInChI=1S/C29H37N3O2/c1-6-8-22-17-24(11-9-20(22)3)31(5)29(34)23-10-12-27-26(18-23)25(19-28(33)32(27)7-2)21-13-15-30(4)16-14-21/h9-12,17-19,21H,6-8,13-16H2,1-5H3
InChIKeyAIZHFWKEZVZJDF-UHFFFAOYSA-N
XLogP5.37
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide
CID 134537330
4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134537268
4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide
CID 134537543
N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134537306
N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide
CID 134537587
N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134547621
3-chloro-N-[1-ethyl-2-oxo-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]quinolin-6-yl]-N-methylbenzamide
CID 134537266
2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
CID 134537501
2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
CID 134537531
N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide
CID 134537515
2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide
CID 134537390
4-cyclopropyl-1-ethyl-6-methylquinolin-2-one;ethane
CID 145235316

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide (CID 146952436) is 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide is CCCc1cc(N(C)C(=O)c2ccc3c(c2)c(C2CCN(C)CC2)cc(=O)n3CC)ccc1C.
What is the InChIKey of 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide?
The InChIKey is AIZHFWKEZVZJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-6-8-22-17-24(11-9-20(22)3)31(5)29(34)23-10-12-27-26(18-23)25(19-28(33)32(27)7-2)21-13-15-30(4)16-14-21/h9-12,17-19,21H,6-8,13-16H2,1-5H3.
What are the key properties of 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide?
1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide is sourced from PubChem (CID 146952436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).