N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide

C23H22N4O — CID 39776190

IUPACN,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cccc(Cn2cc(-c3cc(C(=O)N(C)C)c4ccccc4n3)cn2)c1
InChIInChI=1S/C23H22N4O/c1-16-7-6-8-17(11-16)14-27-15-18(13-24-27)22-12-20(23(28)26(2)3)19-9-4-5-10-21(19)25-22/h4-13,15H,14H2,1-3H3
InChIKeyTXCWJKKXZTYBHF-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.16
Rot. Bonds4

About N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide

N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 39776190) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID39776190
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cccc(Cn2cc(-c3cc(C(=O)N(C)C)c4ccccc4n3)cn2)c1
InChIInChI=1S/C23H22N4O/c1-16-7-6-8-17(11-16)14-27-15-18(13-24-27)22-12-20(23(28)26(2)3)19-9-4-5-10-21(19)25-22/h4-13,15H,14H2,1-3H3
InChIKeyTXCWJKKXZTYBHF-UHFFFAOYSA-N
XLogP4.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19518695
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518679
2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide
CID 31018668
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-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19518726
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
1-ethyl-3-[3-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88992754
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide (CID 39776190) is N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide is Cc1cccc(Cn2cc(-c3cc(C(=O)N(C)C)c4ccccc4n3)cn2)c1.
What is the InChIKey of N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is TXCWJKKXZTYBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-7-6-8-17(11-16)14-27-15-18(13-24-27)22-12-20(23(28)26(2)3)19-9-4-5-10-21(19)25-22/h4-13,15H,14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 39776190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).