1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide

C20H27N3O2 — CID 95222672

IUPAC1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)NCC[C@@H]1CCCN(C)C1)cn2C
InChIInChI=1S/C20H27N3O2/c1-14-6-7-18-16(11-14)19(24)17(13-23(18)3)20(25)21-9-8-15-5-4-10-22(2)12-15/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyDOUXDMVBZUZLME-HNNXBMFYSA-N
MW341.45 g/mol
LogP2.31
Rot. Bonds4

About 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide

1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide (PubChem CID 95222672) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
PubChem CID95222672
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)NCC[C@@H]1CCCN(C)C1)cn2C
InChIInChI=1S/C20H27N3O2/c1-14-6-7-18-16(11-14)19(24)17(13-23(18)3)20(25)21-9-8-15-5-4-10-22(2)12-15/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyDOUXDMVBZUZLME-HNNXBMFYSA-N
XLogP2.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222673
6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95207704
2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
CID 95229686
4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 56722819
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 3237700
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133148
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide (CID 95222672) is 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide is Cc1ccc2c(c1)c(=O)c(C(=O)NCC[C@@H]1CCCN(C)C1)cn2C.
What is the InChIKey of 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is DOUXDMVBZUZLME-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-6-7-18-16(11-14)19(24)17(13-23(18)3)20(25)21-9-8-15-5-4-10-22(2)12-15/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide?
1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 95222672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).