2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride

C16H8BrClN2O — CID 10713509

IUPAC2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride
SMILESO=C(Cl)c1c2cc(Br)ccc2nc2c1[nH]c1ccccc12
InChIInChI=1S/C16H8BrClN2O/c17-8-5-6-12-10(7-8)13(16(18)21)15-14(19-12)9-3-1-2-4-11(9)20-15/h1-7,20H
InChIKeyTVUKMDFVPGJWHD-UHFFFAOYSA-N
MW359.61 g/mol
LogP5.01
Rot. Bonds1

About 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride

2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride (PubChem CID 10713509) has the molecular formula C16H8BrClN2O and a molecular weight of 359.61 g/mol. Its IUPAC name is 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride.

Molecular Properties

Compound Name2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride
PubChem CID10713509
Molecular FormulaC16H8BrClN2O
Molecular Weight359.61 g/mol
Exact Mass357.95
IUPAC Name2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride
SMILESO=C(Cl)c1c2cc(Br)ccc2nc2c1[nH]c1ccccc12
InChIInChI=1S/C16H8BrClN2O/c17-8-5-6-12-10(7-8)13(16(18)21)15-14(19-12)9-3-1-2-4-11(9)20-15/h1-7,20H
InChIKeyTVUKMDFVPGJWHD-UHFFFAOYSA-N
XLogP5.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CID 10493837
methyl 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline
CID 101486334
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
8-bromo-5-phenyl-11H-benzo[a]carbazole
CID 176551555
7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
CID 44581611
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
7-bromo-9-oxo-10H-acridine-4-carboxylic acid
CID 627079
7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
CID 89336176
11-phenylsulfanyl-10H-indolo[3,2-b]quinoline
CID 10853588
2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid
CID 71347196
methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride?
The IUPAC name of 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride (CID 10713509) is 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride.
What is the SMILES notation for 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride?
The canonical SMILES for 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride is O=C(Cl)c1c2cc(Br)ccc2nc2c1[nH]c1ccccc12.
What is the InChIKey of 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride?
The InChIKey is TVUKMDFVPGJWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClN2O/c17-8-5-6-12-10(7-8)13(16(18)21)15-14(19-12)9-3-1-2-4-11(9)20-15/h1-7,20H.
What are the key properties of 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride?
2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride has a molecular weight of 359.61 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride is sourced from PubChem (CID 10713509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).