N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide

C19H23F2N3O — CID 150149024

IUPACN-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
SMILESC[C@H](NC1CCC(NC(=O)c2cnc3ccccc3c2)CC1)C(F)F
InChIInChI=1S/C19H23F2N3O/c1-12(18(20)21)23-15-6-8-16(9-7-15)24-19(25)14-10-13-4-2-3-5-17(13)22-11-14/h2-5,10-12,15-16,18,23H,6-9H2,1H3,(H,24,25)/t12-,15?,16?/m0/s1
InChIKeyFEWDCPVZDSAOAS-JQRITLKVSA-N
MW347.41 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide

N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide (PubChem CID 150149024) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
PubChem CID150149024
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC NameN-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
SMILESC[C@H](NC1CCC(NC(=O)c2cnc3ccccc3c2)CC1)C(F)F
InChIInChI=1S/C19H23F2N3O/c1-12(18(20)21)23-15-6-8-16(9-7-15)24-19(25)14-10-13-4-2-3-5-17(13)22-11-14/h2-5,10-12,15-16,18,23H,6-9H2,1H3,(H,24,25)/t12-,15?,16?/m0/s1
InChIKeyFEWDCPVZDSAOAS-JQRITLKVSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide
CID 154737484
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
N-cyclohexyl-6-hydroxyquinoline-3-carboxamide
CID 69292752
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
CID 155104929
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide?
The IUPAC name of N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide (CID 150149024) is N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide?
The canonical SMILES for N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide is C[C@H](NC1CCC(NC(=O)c2cnc3ccccc3c2)CC1)C(F)F.
What is the InChIKey of N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide?
The InChIKey is FEWDCPVZDSAOAS-JQRITLKVSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-12(18(20)21)23-15-6-8-16(9-7-15)24-19(25)14-10-13-4-2-3-5-17(13)22-11-14/h2-5,10-12,15-16,18,23H,6-9H2,1H3,(H,24,25)/t12-,15?,16?/m0/s1.
What are the key properties of N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide?
N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide is sourced from PubChem (CID 150149024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).