2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide

C17H13ClN2O2 — CID 947633

IUPAC2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C17H13ClN2O2/c1-22-15-9-5-4-8-14(15)20-17(21)12-10-16(18)19-13-7-3-2-6-11(12)13/h2-10H,1H3,(H,20,21)
InChIKeyUGBKLDLDACJMGE-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.15
Rot. Bonds3

About 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide

2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 947633) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID947633
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C17H13ClN2O2/c1-22-15-9-5-4-8-14(15)20-17(21)12-10-16(18)19-13-7-3-2-6-11(12)13/h2-10H,1H3,(H,20,21)
InChIKeyUGBKLDLDACJMGE-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide (CID 947633) is 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide is COc1ccccc1NC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is UGBKLDLDACJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-22-15-9-5-4-8-14(15)20-17(21)12-10-16(18)19-13-7-3-2-6-11(12)13/h2-10H,1H3,(H,20,21).
What are the key properties of 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide?
2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 947633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).