2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide

C27H29N5O — CID 19518645

IUPAC2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c3ccccc3n2)cn1
InChIInChI=1S/C27H29N5O/c1-2-32-19-21(17-28-32)26-16-24(23-8-4-5-9-25(23)30-26)27(33)29-22-12-10-20(11-13-22)18-31-14-6-3-7-15-31/h4-5,8-13,16-17,19H,2-3,6-7,14-15,18H2,1H3,(H,29,33)
InChIKeyPZXILCYSZWBVCO-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.36
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide (PubChem CID 19518645) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
PubChem CID19518645
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c3ccccc3n2)cn1
InChIInChI=1S/C27H29N5O/c1-2-32-19-21(17-28-32)26-16-24(23-8-4-5-9-25(23)30-26)27(33)29-22-12-10-20(11-13-22)18-31-14-6-3-7-15-31/h4-5,8-13,16-17,19H,2-3,6-7,14-15,18H2,1H3,(H,29,33)
InChIKeyPZXILCYSZWBVCO-UHFFFAOYSA-N
XLogP5.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 19518582
2-(1-ethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19518695
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518535
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518679
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518757
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518599
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide (CID 19518645) is 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is PZXILCYSZWBVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-2-32-19-21(17-28-32)26-16-24(23-8-4-5-9-25(23)30-26)27(33)29-22-12-10-20(11-13-22)18-31-14-6-3-7-15-31/h4-5,8-13,16-17,19H,2-3,6-7,14-15,18H2,1H3,(H,29,33).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 19518645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).