2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide

C20H17ClFN3O — CID 110299200

IUPAC2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C20H17ClFN3O/c21-19-17(11-13-3-4-14(22)12-18(13)24-19)20(26)23-15-5-7-16(8-6-15)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,23,26)
InChIKeyYXXGUTYLBHSEDW-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.88
Rot. Bonds3

About 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide

2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide (PubChem CID 110299200) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
PubChem CID110299200
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C20H17ClFN3O/c21-19-17(11-13-3-4-14(22)12-18(13)24-19)20(26)23-15-5-7-16(8-6-15)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,23,26)
InChIKeyYXXGUTYLBHSEDW-UHFFFAOYSA-N
XLogP4.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299194
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
1-[4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 110299106
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide (CID 110299200) is 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide?
The InChIKey is YXXGUTYLBHSEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-19-17(11-13-3-4-14(22)12-18(13)24-19)20(26)23-15-5-7-16(8-6-15)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,23,26).
What are the key properties of 2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide?
2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.88, 3 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-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 110299200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).