5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide

C21H16BrClN2O2S — CID 16835024

IUPAC5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cc(Br)ccc1Cl
InChIInChI=1S/C21H16BrClN2O2S/c22-14-6-8-17(23)16(11-14)20(26)24-15-7-5-13-3-1-9-25(18(13)12-15)21(27)19-4-2-10-28-19/h2,4-8,10-12H,1,3,9H2,(H,24,26)
InChIKeyLRYZDJLSAGYINE-UHFFFAOYSA-N
MW475.80 g/mol
LogP6.01
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide

5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide (PubChem CID 16835024) has the molecular formula C21H16BrClN2O2S and a molecular weight of 475.80 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
PubChem CID16835024
Molecular FormulaC21H16BrClN2O2S
Molecular Weight475.80 g/mol
Exact Mass473.98
IUPAC Name5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cc(Br)ccc1Cl
InChIInChI=1S/C21H16BrClN2O2S/c22-14-6-8-17(23)16(11-14)20(26)24-15-7-5-13-3-1-9-25(18(13)12-15)21(27)19-4-2-10-28-19/h2,4-8,10-12H,1,3,9H2,(H,24,26)
InChIKeyLRYZDJLSAGYINE-UHFFFAOYSA-N
XLogP6.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.80
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 27555225
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
2-methyl-3-nitro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835023
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
4-propan-2-yloxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517377
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517433
4-methyl-3-nitro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835038
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide (CID 16835024) is 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide is O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The InChIKey is LRYZDJLSAGYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN2O2S/c22-14-6-8-17(23)16(11-14)20(26)24-15-7-5-13-3-1-9-25(18(13)12-15)21(27)19-4-2-10-28-19/h2,4-8,10-12H,1,3,9H2,(H,24,26).
What are the key properties of 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide has a molecular weight of 475.80 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide is sourced from PubChem (CID 16835024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).