1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C21H12ClN3O2 — CID 15908835

IUPAC1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc3ccc(Cl)cc3n2)n1
InChIInChI=1S/C21H12ClN3O2/c22-12-7-5-11-6-8-16(23-17(11)9-12)20-19-14(10-18(25-20)21(26)27)13-3-1-2-4-15(13)24-19/h1-10,24H,(H,26,27)
InChIKeyTVMPMAJFLOXFSC-UHFFFAOYSA-N
MW373.80 g/mol
LogP5.28
Rot. Bonds2

About 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 15908835) has the molecular formula C21H12ClN3O2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID15908835
Molecular FormulaC21H12ClN3O2
Molecular Weight373.80 g/mol
Exact Mass373.06
IUPAC Name1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc3ccc(Cl)cc3n2)n1
InChIInChI=1S/C21H12ClN3O2/c22-12-7-5-11-6-8-16(23-17(11)9-12)20-19-14(10-18(25-20)21(26)27)13-3-1-2-4-15(13)24-19/h1-10,24H,(H,26,27)
InChIKeyTVMPMAJFLOXFSC-UHFFFAOYSA-N
XLogP5.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.80
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(7-chloroquinolin-2-yl)-8-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 100999635
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
1-(2-benzylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175115962
1-[4-(4-methylsulfonylphenyl)phenyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 176780707
1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 141298361
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
1-[4-[benzenesulfonyl(methyl)amino]phenyl]-7-chloro-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 169185959
methyl 1-[4-(4-fluorophenyl)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 102528427
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 156786469
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
methyl 1-(6-methyl-4-phenylquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 102528423

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 15908835) is 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc3ccc(Cl)cc3n2)n1.
What is the InChIKey of 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is TVMPMAJFLOXFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3O2/c22-12-7-5-11-6-8-16(23-17(11)9-12)20-19-14(10-18(25-20)21(26)27)13-3-1-2-4-15(13)24-19/h1-10,24H,(H,26,27).
What are the key properties of 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 373.80 g/mol, XLogP of 5.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 15908835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).