2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide

C19H15ClF2N2O2 — CID 110307324

IUPAC2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
SMILESO=C(NCCCOc1ccc(F)cc1)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C19H15ClF2N2O2/c20-18-16(10-12-2-3-14(22)11-17(12)24-18)19(25)23-8-1-9-26-15-6-4-13(21)5-7-15/h2-7,10-11H,1,8-9H2,(H,23,25)
InChIKeyVRMMAUTVASKEKF-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.37
Rot. Bonds6

About 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide

2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide (PubChem CID 110307324) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
PubChem CID110307324
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Name2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
SMILESO=C(NCCCOc1ccc(F)cc1)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C19H15ClF2N2O2/c20-18-16(10-12-2-3-14(22)11-17(12)24-18)19(25)23-8-1-9-26-15-6-4-13(21)5-7-15/h2-7,10-11H,1,8-9H2,(H,23,25)
InChIKeyVRMMAUTVASKEKF-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
CID 110299117
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-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299190
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide
CID 110303168
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide?
The IUPAC name of 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide (CID 110307324) is 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide is O=C(NCCCOc1ccc(F)cc1)c1cc2ccc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide?
The InChIKey is VRMMAUTVASKEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c20-18-16(10-12-2-3-14(22)11-17(12)24-18)19(25)23-8-1-9-26-15-6-4-13(21)5-7-15/h2-7,10-11H,1,8-9H2,(H,23,25).
What are the key properties of 2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide?
2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide has a molecular weight of 376.79 g/mol, XLogP of 4.37, 6 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-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide is sourced from PubChem (CID 110307324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).