2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide

C19H18N6O — CID 19513012

IUPAC2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCn1cc(CNC(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)cn1
InChIInChI=1S/C19H18N6O/c1-24-11-13(9-21-24)8-20-19(26)16-7-18(14-10-22-25(2)12-14)23-17-6-4-3-5-15(16)17/h3-7,9-12H,8H2,1-2H3,(H,20,26)
InChIKeySMRCYTSLIJWJDJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.30
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 19513012) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID19513012
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCn1cc(CNC(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)cn1
InChIInChI=1S/C19H18N6O/c1-24-11-13(9-21-24)8-20-19(26)16-7-18(14-10-22-25(2)12-14)23-17-6-4-3-5-15(16)17/h3-7,9-12H,8H2,1-2H3,(H,20,26)
InChIKeySMRCYTSLIJWJDJ-UHFFFAOYSA-N
XLogP2.30
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518387
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 19513012) is 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is Cn1cc(CNC(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is SMRCYTSLIJWJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-24-11-13(9-21-24)8-20-19(26)16-7-18(14-10-22-25(2)12-14)23-17-6-4-3-5-15(16)17/h3-7,9-12H,8H2,1-2H3,(H,20,26).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 19513012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).