N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide

C22H21N5O — CID 31075085

IUPACN-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2c(C)cccc12
InChIInChI=1S/C22H21N5O/c1-4-26(3)22(28)18-12-19(25-21-15(2)8-7-9-17(18)21)16-13-24-27(14-16)20-10-5-6-11-23-20/h5-14H,4H2,1-3H3
InChIKeyVTPQDJILUSJRKX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.88
Rot. Bonds4

About N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide

N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 31075085) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID31075085
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2c(C)cccc12
InChIInChI=1S/C22H21N5O/c1-4-26(3)22(28)18-12-19(25-21-15(2)8-7-9-17(18)21)16-13-24-27(14-16)20-10-5-6-11-23-20/h5-14H,4H2,1-3H3
InChIKeyVTPQDJILUSJRKX-UHFFFAOYSA-N
XLogP3.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
CID 46984469
N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 46997710
N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
CID 46999362
N,8-dimethyl-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 95047030
N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46999144
N,8-dimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95045887
[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 46995479
N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
N,N-dimethyl-2-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 39776190
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide (CID 31075085) is N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide is CCN(C)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2c(C)cccc12.
What is the InChIKey of N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is VTPQDJILUSJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-4-26(3)22(28)18-12-19(25-21-15(2)8-7-9-17(18)21)16-13-24-27(14-16)20-10-5-6-11-23-20/h5-14H,4H2,1-3H3.
What are the key properties of N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 31075085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).