N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide

C24H24F3N3O2 — CID 123910161

IUPACN-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide
SMILESCc1ccc2c(c1)C(O)C(C(=O)Nc1ccc(N3C4CCC3CC4)cc1C(F)(F)F)C=N2
InChIInChI=1S/C24H24F3N3O2/c1-13-2-8-20-17(10-13)22(31)18(12-28-20)23(32)29-21-9-7-16(11-19(21)24(25,26)27)30-14-3-4-15(30)6-5-14/h2,7-12,14-15,18,22,31H,3-6H2,1H3,(H,29,32)
InChIKeyOLRXKJIILYIMKK-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.15
Rot. Bonds3

About N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide

N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide (PubChem CID 123910161) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide
PubChem CID123910161
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC NameN-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide
SMILESCc1ccc2c(c1)C(O)C(C(=O)Nc1ccc(N3C4CCC3CC4)cc1C(F)(F)F)C=N2
InChIInChI=1S/C24H24F3N3O2/c1-13-2-8-20-17(10-13)22(31)18(12-28-20)23(32)29-21-9-7-16(11-19(21)24(25,26)27)30-14-3-4-15(30)6-5-14/h2,7-12,14-15,18,22,31H,3-6H2,1H3,(H,29,32)
InChIKeyOLRXKJIILYIMKK-UHFFFAOYSA-N
XLogP5.15
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-6-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 46194557
N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
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N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-7-cyano-1-oxo-4H-naphthalene-2-carboxamide
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bicyclo[2.2.1]heptane;methane;4-methyl-1-nitro-2-(trifluoromethyl)benzene;7-[4-nitro-3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 162214125
(4R,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2422962
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
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N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
2,8-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide
CID 60609523
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 43059825
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide?
The IUPAC name of N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide (CID 123910161) is N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide is Cc1ccc2c(c1)C(O)C(C(=O)Nc1ccc(N3C4CCC3CC4)cc1C(F)(F)F)C=N2.
What is the InChIKey of N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide?
The InChIKey is OLRXKJIILYIMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-13-2-8-20-17(10-13)22(31)18(12-28-20)23(32)29-21-9-7-16(11-19(21)24(25,26)27)30-14-3-4-15(30)6-5-14/h2,7-12,14-15,18,22,31H,3-6H2,1H3,(H,29,32).
What are the key properties of N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide?
N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-3,4-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 123910161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).