2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide

C18H14ClFN2O — CID 55731090

IUPAC2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C18H14ClFN2O/c19-17-8-6-13-11-14(5-7-16(13)22-17)18(23)21-10-9-12-3-1-2-4-15(12)20/h1-8,11H,9-10H2,(H,21,23)
InChIKeyAMQXHACRNZDHDH-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.00
Rot. Bonds4

About 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide

2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide (PubChem CID 55731090) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
PubChem CID55731090
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C18H14ClFN2O/c19-17-8-6-13-11-14(5-7-16(13)22-17)18(23)21-10-9-12-3-1-2-4-15(12)20/h1-8,11H,9-10H2,(H,21,23)
InChIKeyAMQXHACRNZDHDH-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.00
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

N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide
CID 56586514
2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide
CID 55730969
N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568477
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765045
2-chloro-N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 62237463
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
2-(2-chloro-4-pyridinyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 134796086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide (CID 55731090) is 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide is O=C(NCCc1ccccc1F)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide?
The InChIKey is AMQXHACRNZDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-17-8-6-13-11-14(5-7-16(13)22-17)18(23)21-10-9-12-3-1-2-4-15(12)20/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide?
2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 55731090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).