4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide

C21H19N5O — CID 156547228

IUPAC4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide
SMILESCCn1ccc(-c2ccc3ncc(C(N)=O)c(Nc4ccccc4)c3c2)n1
InChIInChI=1S/C21H19N5O/c1-2-26-11-10-18(25-26)14-8-9-19-16(12-14)20(17(13-23-19)21(22)27)24-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,22,27)(H,23,24)
InChIKeyINJXSIBZSJJPJO-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.96
Rot. Bonds5

About 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide

4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide (PubChem CID 156547228) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide
PubChem CID156547228
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide
SMILESCCn1ccc(-c2ccc3ncc(C(N)=O)c(Nc4ccccc4)c3c2)n1
InChIInChI=1S/C21H19N5O/c1-2-26-11-10-18(25-26)14-8-9-19-16(12-14)20(17(13-23-19)21(22)27)24-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,22,27)(H,23,24)
InChIKeyINJXSIBZSJJPJO-UHFFFAOYSA-N
XLogP3.96
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(4-anilino-3-carbamoylquinolin-6-yl)benzoyl]amino]cyclohexyl]carbamic acid
CID 156535535
4-(3-hydroxyanilino)-6-methylquinoline-3-carboxamide;sulfur dioxide
CID 158839426
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]ethanone
CID 161061498
4-anilino-6-(1-butylpyrazol-4-yl)-N-propan-2-ylquinoline-3-carboxamide
CID 157152212
4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
CID 156547219
4-(3-acetylanilino)-6-(benzenesulfonyl)quinoline-3-carboxamide
CID 11362812
4-[3-(aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
tert-butyl N-[2-[[4-(4-anilino-3-carbamoylquinolin-7-yl)benzoyl]amino]ethyl]carbamate
CID 149309124
4-anilino-6-[4-(4-formamidobutylcarbamoyl)phenyl]quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[ethyl(methyl)amino]isoindole-1,3-dione
CID 169241702
4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
CID 156547134
3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
CID 57334340

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide?
The IUPAC name of 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide (CID 156547228) is 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide is CCn1ccc(-c2ccc3ncc(C(N)=O)c(Nc4ccccc4)c3c2)n1.
What is the InChIKey of 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide?
The InChIKey is INJXSIBZSJJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-26-11-10-18(25-26)14-8-9-19-16(12-14)20(17(13-23-19)21(22)27)24-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,22,27)(H,23,24).
What are the key properties of 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide?
4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide is sourced from PubChem (CID 156547228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).