N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide

C15H10BrClN2OS — CID 32776156

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H10BrClN2OS/c16-13-6-5-9(21-13)8-18-15(20)11-7-14(17)19-12-4-2-1-3-10(11)12/h1-7H,8H2,(H,18,20)
InChIKeyXRFPLCLSULVWOR-UHFFFAOYSA-N
MW381.68 g/mol
LogP4.64
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide (PubChem CID 32776156) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide
PubChem CID32776156
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H10BrClN2OS/c16-13-6-5-9(21-13)8-18-15(20)11-7-14(17)19-12-4-2-1-3-10(11)12/h1-7H,8H2,(H,18,20)
InChIKeyXRFPLCLSULVWOR-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 54.64
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

N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 55976894
2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
CID 106832238
2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
CID 104600407
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
N-[(5-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47291740
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
CID 15991683
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1010569

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide (CID 32776156) is N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide is O=C(NCc1ccc(Br)s1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
The InChIKey is XRFPLCLSULVWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c16-13-6-5-9(21-13)8-18-15(20)11-7-14(17)19-12-4-2-1-3-10(11)12/h1-7H,8H2,(H,18,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide has a molecular weight of 381.68 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide is sourced from PubChem (CID 32776156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).