1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide

C20H27N3O2 — CID 146125810

IUPAC1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-14-8-10-23(11-9-14)15(2)13-21-20(25)17-12-19(24)22(3)18-7-5-4-6-16(17)18/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,25)
InChIKeyDGOPOOUXIBPSNE-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.39
Rot. Bonds4

About 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide (PubChem CID 146125810) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide
PubChem CID146125810
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-14-8-10-23(11-9-14)15(2)13-21-20(25)17-12-19(24)22(3)18-7-5-4-6-16(17)18/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,25)
InChIKeyDGOPOOUXIBPSNE-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
CID 92625940
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 120645515
1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
CID 122558905
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
CID 75431995
(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695225
N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 112502468
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide (CID 146125810) is 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide is CC1CCN(C(C)CNC(=O)c2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is DGOPOOUXIBPSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-8-10-23(11-9-14)15(2)13-21-20(25)17-12-19(24)22(3)18-7-5-4-6-16(17)18/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,25).
What are the key properties of 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 146125810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).