N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide

C19H16F2N2O — CID 16562695

IUPACN-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C19H16F2N2O/c1-11(2)18-10-14(13-5-3-4-6-17(13)23-18)19(24)22-12-7-8-15(20)16(21)9-12/h3-11H,1-2H3,(H,22,24)
InChIKeyYVHGDQAFOWQCET-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.89
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide

N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 16562695) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
PubChem CID16562695
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC NameN-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C19H16F2N2O/c1-11(2)18-10-14(13-5-3-4-6-17(13)23-18)19(24)22-12-7-8-15(20)16(21)9-12/h3-11H,1-2H3,(H,22,24)
InChIKeyYVHGDQAFOWQCET-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide (CID 16562695) is N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(F)c(F)c2)c2ccccc2n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is YVHGDQAFOWQCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c1-11(2)18-10-14(13-5-3-4-6-17(13)23-18)19(24)22-12-7-8-15(20)16(21)9-12/h3-11H,1-2H3,(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide?
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 16562695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).