1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C23H22F3N3O2 — CID 55756099

IUPAC1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c2ccccc21
InChIInChI=1S/C23H22F3N3O2/c1-28-19-8-4-3-7-16(19)17(14-21(28)30)22(31)27-18-13-15(23(24,25)26)9-10-20(18)29-11-5-2-6-12-29/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,27,31)
InChIKeyFAIXDPFQNBACLF-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.80
Rot. Bonds3

About 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide

1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 55756099) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID55756099
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c2ccccc21
InChIInChI=1S/C23H22F3N3O2/c1-28-19-8-4-3-7-16(19)17(14-21(28)30)22(31)27-18-13-15(23(24,25)26)9-10-20(18)29-11-5-2-6-12-29/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,27,31)
InChIKeyFAIXDPFQNBACLF-UHFFFAOYSA-N
XLogP4.80
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 29427087
1-methyl-4-piperidin-1-ylquinolin-2-one
CID 154146370
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3795149
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761059

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 55756099) is 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is FAIXDPFQNBACLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-28-19-8-4-3-7-16(19)17(14-21(28)30)22(31)27-18-13-15(23(24,25)26)9-10-20(18)29-11-5-2-6-12-29/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,27,31).
What are the key properties of 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55756099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).