N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C16H15BrN2O2S — CID 18114829

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15BrN2O2S/c1-19(9-12-4-6-14(17)22-12)16(21)11-2-5-13-10(8-11)3-7-15(20)18-13/h2,4-6,8H,3,7,9H2,1H3,(H,18,20)
InChIKeyCOLHZFLOCLHZMT-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.67
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18114829) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18114829
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15BrN2O2S/c1-19(9-12-4-6-14(17)22-12)16(21)11-2-5-13-10(8-11)3-7-15(20)18-13/h2,4-6,8H,3,7,9H2,1H3,(H,18,20)
InChIKeyCOLHZFLOCLHZMT-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103126
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103130
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737971
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31286349
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
CID 60937937
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712082
N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 27839410
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18114829) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is COLHZFLOCLHZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-19(9-12-4-6-14(17)22-12)16(21)11-2-5-13-10(8-11)3-7-15(20)18-13/h2,4-6,8H,3,7,9H2,1H3,(H,18,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 379.28 g/mol, XLogP of 3.67, 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]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18114829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).