N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide

C23H18N6O2 — CID 46984469

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2ccccc12
InChIInChI=1S/C23H18N6O2/c1-28(15-17-9-11-31-27-17)23(30)19-12-21(26-20-7-3-2-6-18(19)20)16-13-25-29(14-16)22-8-4-5-10-24-22/h2-14H,15H2,1H3
InChIKeyOEYVYWBCXIQVGS-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.74
Rot. Bonds5

About N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide

N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46984469) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46984469
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2ccccc12
InChIInChI=1S/C23H18N6O2/c1-28(15-17-9-11-31-27-17)23(30)19-12-21(26-20-7-3-2-6-18(19)20)16-13-25-29(14-16)22-8-4-5-10-24-22/h2-14H,15H2,1H3
InChIKeyOEYVYWBCXIQVGS-UHFFFAOYSA-N
XLogP3.74
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
CID 31075085
2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide
CID 31018668
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 46998816
2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 17457899
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 39776190
8-chloro-2-(furan-2-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)quinoline-4-carboxamide
CID 72866594
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
4-(1-pyridin-2-ylpyrazol-4-yl)quinoline
CID 70689779
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide (CID 46984469) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide is CN(Cc1ccon1)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2ccccc12.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is OEYVYWBCXIQVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-28(15-17-9-11-31-27-17)23(30)19-12-21(26-20-7-3-2-6-18(19)20)16-13-25-29(14-16)22-8-4-5-10-24-22/h2-14H,15H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46984469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).