N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide

C20H19FN2O — CID 16562783

IUPACN-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(C(C)C)nc3ccccc23)c1
InChIInChI=1S/C20H19FN2O/c1-12(2)18-11-15(14-6-4-5-7-17(14)22-18)20(24)23-19-10-13(3)8-9-16(19)21/h4-12H,1-3H3,(H,23,24)
InChIKeyJPAPSDMDUJGDKY-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.06
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide

N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 16562783) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
PubChem CID16562783
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(C(C)C)nc3ccccc23)c1
InChIInChI=1S/C20H19FN2O/c1-12(2)18-11-15(14-6-4-5-7-17(14)22-18)20(24)23-19-10-13(3)8-9-16(19)21/h4-12H,1-3H3,(H,23,24)
InChIKeyJPAPSDMDUJGDKY-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24698449
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 18198200
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide (CID 16562783) is N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(C(C)C)nc3ccccc23)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is JPAPSDMDUJGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-12(2)18-11-15(14-6-4-5-7-17(14)22-18)20(24)23-19-10-13(3)8-9-16(19)21/h4-12H,1-3H3,(H,23,24).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 16562783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).