5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide

C18H19ClN4O — CID 95767200

IUPAC5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C18H19ClN4O/c1-10(16-11(2)22-23(4)12(16)3)21-18(24)14-7-8-15(19)13-6-5-9-20-17(13)14/h5-10H,1-4H3,(H,21,24)/t10-/m1/s1
InChIKeyFCBOFDCDLKSFOV-SNVBAGLBSA-N
MW342.83 g/mol
LogP3.73
Rot. Bonds3

About 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide

5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide (PubChem CID 95767200) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide
PubChem CID95767200
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C18H19ClN4O/c1-10(16-11(2)22-23(4)12(16)3)21-18(24)14-7-8-15(19)13-6-5-9-20-17(13)14/h5-10H,1-4H3,(H,21,24)/t10-/m1/s1
InChIKeyFCBOFDCDLKSFOV-SNVBAGLBSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 95623237
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
3,5-dibromo-4-hydroxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 154751403
5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471
5-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 91788462
5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089643
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825272
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51096099
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825273
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 91776202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide (CID 95767200) is 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide is Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide?
The InChIKey is FCBOFDCDLKSFOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-10(16-11(2)22-23(4)12(16)3)21-18(24)14-7-8-15(19)13-6-5-9-20-17(13)14/h5-10H,1-4H3,(H,21,24)/t10-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide?
5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 95767200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).