2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide

C18H21ClFN3O — CID 110303168

IUPAC2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide
SMILESCC(C)(CNC(=O)c1cc2ccc(F)cc2nc1Cl)N1CCCC1
InChIInChI=1S/C18H21ClFN3O/c1-18(2,23-7-3-4-8-23)11-21-17(24)14-9-12-5-6-13(20)10-15(12)22-16(14)19/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,24)
InChIKeyDCWSKODKCFEXQJ-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.63
Rot. Bonds4

About 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide

2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide (PubChem CID 110303168) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide
PubChem CID110303168
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide
SMILESCC(C)(CNC(=O)c1cc2ccc(F)cc2nc1Cl)N1CCCC1
InChIInChI=1S/C18H21ClFN3O/c1-18(2,23-7-3-4-8-23)11-21-17(24)14-9-12-5-6-13(20)10-15(12)22-16(14)19/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,24)
InChIKeyDCWSKODKCFEXQJ-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.63
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

6-chloro-2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 55522789
2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
CID 110299200
2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
CID 110299117
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
2-chloro-7-fluoro-N-[(3-methylphenyl)methyl]quinoline-3-carboxamide
CID 110299110
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
1-[4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 110299106
2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
CID 110307324
2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
CID 110299179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide?
The IUPAC name of 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide (CID 110303168) is 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide is CC(C)(CNC(=O)c1cc2ccc(F)cc2nc1Cl)N1CCCC1.
What is the InChIKey of 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide?
The InChIKey is DCWSKODKCFEXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c1-18(2,23-7-3-4-8-23)11-21-17(24)14-9-12-5-6-13(20)10-15(12)22-16(14)19/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide?
2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 3.63, 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-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide is sourced from PubChem (CID 110303168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).