8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide

C20H20F2N2O2 — CID 169199941

IUPAC8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cnc2c(C3=CCC(F)(F)CC3)cccc2c1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)6-4-13(5-7-20)16-3-1-2-14-10-15(11-23-17(14)16)18(26)24-19(12-25)8-9-19/h1-4,10-11,25H,5-9,12H2,(H,24,26)
InChIKeyGKOWVDJWICNQRH-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.69
Rot. Bonds4

About 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide

8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide (PubChem CID 169199941) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide
PubChem CID169199941
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cnc2c(C3=CCC(F)(F)CC3)cccc2c1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)6-4-13(5-7-20)16-3-1-2-14-10-15(11-23-17(14)16)18(26)24-19(12-25)8-9-19/h1-4,10-11,25H,5-9,12H2,(H,24,26)
InChIKeyGKOWVDJWICNQRH-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)quinoline-8-carboxamide
CID 9268568
N-[2-(2-fluorophenyl)ethyl]quinoline-8-carboxamide
CID 9508170
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-3-carboxamide
CID 10049290
N-(p-(Trifluoromethyl)phenyl)quinoline-8-carboxamide
CID 10495593
Quinoline-3-carboxylic acid ((1S,2S,4R)-1-cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
CID 44308819
3-Ethenylquinoline-8-carboxamide
CID 25208747
N-[2-(2-hydroxyethylamino)ethyl]-2-phenylquinoline-8-carboxamide
CID 358094
4-Phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
CID 11363490
N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoline-3-carboxamide
CID 44571660
3-Butyryl-4-(2-methylphenylamino)quinoline-8-carboxamide
CID 10450366
N-[3-(Trifluoromethyl)phenyl]-8-quinolinecarboxamide
CID 10639105
N-[2-(Trifluoromethyl)phenyl]-8-quinolinecarboxamide
CID 10734165

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide?
The IUPAC name of 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide (CID 169199941) is 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide.
What is the SMILES notation for 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide?
The canonical SMILES for 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide is O=C(NC1(CO)CC1)c1cnc2c(C3=CCC(F)(F)CC3)cccc2c1.
What is the InChIKey of 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide?
The InChIKey is GKOWVDJWICNQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-20(22)6-4-13(5-7-20)16-3-1-2-14-10-15(11-23-17(14)16)18(26)24-19(12-25)8-9-19/h1-4,10-11,25H,5-9,12H2,(H,24,26).
What are the key properties of 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide?
8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide is sourced from PubChem (CID 169199941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).