5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C19H18BrClN2O2 — CID 16834649

IUPAC5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCC(=O)N1CCCc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21
InChIInChI=1S/C19H18BrClN2O2/c1-2-18(24)23-9-3-4-12-10-14(6-8-17(12)23)22-19(25)15-11-13(20)5-7-16(15)21/h5-8,10-11H,2-4,9H2,1H3,(H,22,25)
InChIKeyQJUUIAVTSZIITR-UHFFFAOYSA-N
MW421.72 g/mol
LogP5.04
Rot. Bonds3

About 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 16834649) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID16834649
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC Name5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCC(=O)N1CCCc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21
InChIInChI=1S/C19H18BrClN2O2/c1-2-18(24)23-9-3-4-12-10-14(6-8-17(12)23)22-19(25)15-11-13(20)5-7-16(15)21/h5-8,10-11H,2-4,9H2,1H3,(H,22,25)
InChIKeyQJUUIAVTSZIITR-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.72
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835024
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834941
5-bromo-2-chloro-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930984
ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4907817
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 16834649) is 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CCC(=O)N1CCCc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21.
What is the InChIKey of 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is QJUUIAVTSZIITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c1-2-18(24)23-9-3-4-12-10-14(6-8-17(12)23)22-19(25)15-11-13(20)5-7-16(15)21/h5-8,10-11H,2-4,9H2,1H3,(H,22,25).
What are the key properties of 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 421.72 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 16834649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).