2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide

C18H14ClFN2O2 — CID 110299119

IUPAC2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1
InChIInChI=1S/C18H14ClFN2O2/c1-24-14-6-2-11(3-7-14)10-21-18(23)15-8-12-4-5-13(20)9-16(12)22-17(15)19/h2-9H,10H2,1H3,(H,21,23)
InChIKeyAZLJQNSHSCZCPV-UHFFFAOYSA-N
MW344.77 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide

2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide (PubChem CID 110299119) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
PubChem CID110299119
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1
InChIInChI=1S/C18H14ClFN2O2/c1-24-14-6-2-11(3-7-14)10-21-18(23)15-8-12-4-5-13(20)9-16(12)22-17(15)19/h2-9H,10H2,1H3,(H,21,23)
InChIKeyAZLJQNSHSCZCPV-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.97
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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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
CID 110299117
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
2-chloro-7-fluoro-N-[(3-methylphenyl)methyl]quinoline-3-carboxamide
CID 110299110
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299120
2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
CID 110307324
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide (CID 110299119) is 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide is COc1ccc(CNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1.
What is the InChIKey of 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide?
The InChIKey is AZLJQNSHSCZCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-24-14-6-2-11(3-7-14)10-21-18(23)15-8-12-4-5-13(20)9-16(12)22-17(15)19/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide?
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide has a molecular weight of 344.77 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 110299119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).