2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide

C22H23FN2O — CID 55530881

IUPAC2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(C)C
InChIInChI=1S/C22H23FN2O/c1-14(2)25(15(3)4)22(26)19-13-21(16-9-11-17(23)12-10-16)24-20-8-6-5-7-18(19)20/h5-15H,1-4H3
InChIKeyMTAVWJILHFKHIV-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.30
Rot. Bonds4

About 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide

2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide (PubChem CID 55530881) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
PubChem CID55530881
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(C)C
InChIInChI=1S/C22H23FN2O/c1-14(2)25(15(3)4)22(26)19-13-21(16-9-11-17(23)12-10-16)24-20-8-6-5-7-18(19)20/h5-15H,1-4H3
InChIKeyMTAVWJILHFKHIV-UHFFFAOYSA-N
XLogP5.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide
CID 60588460
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 25362845
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide (CID 55530881) is 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide is CC(C)N(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The InChIKey is MTAVWJILHFKHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-14(2)25(15(3)4)22(26)19-13-21(16-9-11-17(23)12-10-16)24-20-8-6-5-7-18(19)20/h5-15H,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide?
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 55530881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).