N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C17H18N4O2 — CID 19518443

IUPACN-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c1-21-11-12(10-19-21)16-9-14(17(22)18-7-8-23-2)13-5-3-4-6-15(13)20-16/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)
InChIKeyZWCCRAROADMQNE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.01
Rot. Bonds5

About N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19518443) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19518443
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c1-21-11-12(10-19-21)16-9-14(17(22)18-7-8-23-2)13-5-3-4-6-15(13)20-16/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)
InChIKeyZWCCRAROADMQNE-UHFFFAOYSA-N
XLogP2.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518387
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
aminothiourea;methyl 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 90741884
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19518443) is N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is COCCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is ZWCCRAROADMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-11-12(10-19-21)16-9-14(17(22)18-7-8-23-2)13-5-3-4-6-15(13)20-16/h3-6,9-11H,7-8H2,1-2H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19518443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).