2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide

C23H19ClF2N6O — CID 166710038

IUPAC2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
SMILESCC(c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1ccc2nc(N)c(Cl)cc2c1
InChIInChI=1S/C23H19ClF2N6O/c1-13(22-28-7-2-8-29-22)32(12-17-5-3-15(11-30-17)20(25)26)23(33)14-4-6-19-16(9-14)10-18(24)21(27)31-19/h2-11,13,20H,12H2,1H3,(H2,27,31)
InChIKeySGOPJBDFBGDBAZ-UHFFFAOYSA-N
MW468.90 g/mol
LogP5.00
Rot. Bonds6

About 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide

2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide (PubChem CID 166710038) has the molecular formula C23H19ClF2N6O and a molecular weight of 468.90 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
PubChem CID166710038
Molecular FormulaC23H19ClF2N6O
Molecular Weight468.90 g/mol
Exact Mass468.13
IUPAC Name2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
SMILESCC(c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1ccc2nc(N)c(Cl)cc2c1
InChIInChI=1S/C23H19ClF2N6O/c1-13(22-28-7-2-8-29-22)32(12-17-5-3-15(11-30-17)20(25)26)23(33)14-4-6-19-16(9-14)10-18(24)21(27)31-19/h2-11,13,20H,12H2,1H3,(H2,27,31)
InChIKeySGOPJBDFBGDBAZ-UHFFFAOYSA-N
XLogP5.00
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide with MolForge

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Related Compounds

N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
2,4-Bisanilinopyrimidine, 10
CID 44139710
Thz531
CID 118025540
VX-984
CID 72188357
(2S,4R)-1-Acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 118948181
3-(2-aminoquinazolin-6-yl)-4-chloro-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 11683692
6,7-dichloro-4-(4-fluoro-3-(4-(quinazolin-2-yl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229944
9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351032
(S)-2-(1-(6-amino-5-cyanopyrimidin-4-ylamino)ethyl)-6-fluoro-N-methyl-3-(pyridin-2-yl)quinoline-4-carboxamide
CID 59634686
(s)-2-(1-(6-Amino-5-cyanopyrimidin-4-ylamino)ethyl)-n-ethyl-6-fluoro-3-(pyridin-2-yl)quinoline-4-carboxamide
CID 59634709
4-{[2-({4-[2-(4-Acetylpiperazin-1-Yl)-2-Oxoethyl]phenyl}amino)-5-Fluoropyrimidin-4-Yl]amino}-N-(2-Chlorophenyl)benzamide
CID 42628077
4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide
CID 53326214

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide (CID 166710038) is 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide is CC(c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1ccc2nc(N)c(Cl)cc2c1.
What is the InChIKey of 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide?
The InChIKey is SGOPJBDFBGDBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N6O/c1-13(22-28-7-2-8-29-22)32(12-17-5-3-15(11-30-17)20(25)26)23(33)14-4-6-19-16(9-14)10-18(24)21(27)31-19/h2-11,13,20H,12H2,1H3,(H2,27,31).
What are the key properties of 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide?
2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide has a molecular weight of 468.90 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide is sourced from PubChem (CID 166710038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).