2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide

C18H17ClFN3OS — CID 110302422

IUPAC2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccc(F)cc2nc1Cl)c1cccs1
InChIInChI=1S/C18H17ClFN3OS/c1-23(2)15(16-4-3-7-25-16)10-21-18(24)13-8-11-5-6-12(20)9-14(11)22-17(13)19/h3-9,15H,10H2,1-2H3,(H,21,24)
InChIKeyXDLCBKGOMLMZPH-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.12
Rot. Bonds5

About 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide

2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide (PubChem CID 110302422) has the molecular formula C18H17ClFN3OS and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide
PubChem CID110302422
Molecular FormulaC18H17ClFN3OS
Molecular Weight377.87 g/mol
Exact Mass377.08
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccc(F)cc2nc1Cl)c1cccs1
InChIInChI=1S/C18H17ClFN3OS/c1-23(2)15(16-4-3-7-25-16)10-21-18(24)13-8-11-5-6-12(20)9-14(11)22-17(13)19/h3-9,15H,10H2,1-2H3,(H,21,24)
InChIKeyXDLCBKGOMLMZPH-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
CID 55713696
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 95122907
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoline-2-carboxamide
CID 2474991
2-chloro-7-fluoro-N-[(3-methylphenyl)methyl]quinoline-3-carboxamide
CID 110299110
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide (CID 110302422) is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide is CN(C)C(CNC(=O)c1cc2ccc(F)cc2nc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide?
The InChIKey is XDLCBKGOMLMZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3OS/c1-23(2)15(16-4-3-7-25-16)10-21-18(24)13-8-11-5-6-12(20)9-14(11)22-17(13)19/h3-9,15H,10H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide?
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-7-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110302422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).