N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide

C19H22N4O — CID 91762656

IUPACN-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
SMILESCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H22N4O/c1-5-23(12-17-13(2)21-22(4)14(17)3)19(24)16-8-9-18-15(11-16)7-6-10-20-18/h6-11H,5,12H2,1-4H3
InChIKeyBSLSWWCHKDDULU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.25
Rot. Bonds4

About N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide

N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide (PubChem CID 91762656) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
PubChem CID91762656
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
SMILESCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H22N4O/c1-5-23(12-17-13(2)21-22(4)14(17)3)19(24)16-8-9-18-15(11-16)7-6-10-20-18/h6-11H,5,12H2,1-4H3
InChIKeyBSLSWWCHKDDULU-UHFFFAOYSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 42780924
N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide
CID 42793535
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407
N-(2-methoxyethyl)-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 74247767
N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 119070990
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-6-carboxamide
CID 166370943
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide (CID 91762656) is N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide is CCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide?
The InChIKey is BSLSWWCHKDDULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-5-23(12-17-13(2)21-22(4)14(17)3)19(24)16-8-9-18-15(11-16)7-6-10-20-18/h6-11H,5,12H2,1-4H3.
What are the key properties of N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide?
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 91762656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).