2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide

C18H13ClF2N2O — CID 110299126

IUPAC2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C18H13ClF2N2O/c19-17-14(9-12-5-6-13(20)10-16(12)23-17)18(24)22-8-7-11-3-1-2-4-15(11)21/h1-6,9-10H,7-8H2,(H,22,24)
InChIKeyVALPKESIZVLMPP-UHFFFAOYSA-N
MW346.76 g/mol
LogP4.14
Rot. Bonds4

About 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide

2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide (PubChem CID 110299126) has the molecular formula C18H13ClF2N2O and a molecular weight of 346.76 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
PubChem CID110299126
Molecular FormulaC18H13ClF2N2O
Molecular Weight346.76 g/mol
Exact Mass346.07
IUPAC Name2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C18H13ClF2N2O/c19-17-14(9-12-5-6-13(20)10-16(12)23-17)18(24)22-8-7-11-3-1-2-4-15(11)21/h1-6,9-10H,7-8H2,(H,22,24)
InChIKeyVALPKESIZVLMPP-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
CID 110307324
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-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090
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
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide
CID 110302422
2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide
CID 110303168
2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide (CID 110299126) is 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide is O=C(NCCc1ccccc1F)c1cc2ccc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide?
The InChIKey is VALPKESIZVLMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O/c19-17-14(9-12-5-6-13(20)10-16(12)23-17)18(24)22-8-7-11-3-1-2-4-15(11)21/h1-6,9-10H,7-8H2,(H,22,24).
What are the key properties of 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide?
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide has a molecular weight of 346.76 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 110299126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).