N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C20H24N4O — CID 46997967

IUPACN,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)cc(C)c12
InChIInChI=1S/C20H24N4O/c1-6-24(7-2)20(25)16-10-17(15-11-21-23(5)12-15)22-18-9-13(3)8-14(4)19(16)18/h8-12H,6-7H2,1-5H3
InChIKeyGXNSOFGHFCUGPU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.73
Rot. Bonds4

About N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46997967) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46997967
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)cc(C)c12
InChIInChI=1S/C20H24N4O/c1-6-24(7-2)20(25)16-10-17(15-11-21-23(5)12-15)22-18-9-13(3)8-14(4)19(16)18/h8-12H,6-7H2,1-5H3
InChIKeyGXNSOFGHFCUGPU-UHFFFAOYSA-N
XLogP3.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46996230
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46994345
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95047130
1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 25247975
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247784
1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile
CID 46986531
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
7-methoxy-N,N-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46982682
(4S)-1-[2-chloro-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(diethylamino)pentan-1-one
CID 160736908
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 46997967) is N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is CCN(CC)C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)cc(C)c12.
What is the InChIKey of N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is GXNSOFGHFCUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-6-24(7-2)20(25)16-10-17(15-11-21-23(5)12-15)22-18-9-13(3)8-14(4)19(16)18/h8-12H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46997967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).