1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole

C18H13ClN2 — CID 175008340

IUPAC1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole
SMILESClc1cccc(Cc2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C18H13ClN2/c19-13-5-3-4-12(10-13)11-17-18-15(8-9-20-17)14-6-1-2-7-16(14)21-18/h1-10,21H,11H2
InChIKeyXGMMNMURWPJZKG-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.96
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole

1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole (PubChem CID 175008340) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole
PubChem CID175008340
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole
SMILESClc1cccc(Cc2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C18H13ClN2/c19-13-5-3-4-12(10-13)11-17-18-15(8-9-20-17)14-6-1-2-7-16(14)21-18/h1-10,21H,11H2
InChIKeyXGMMNMURWPJZKG-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56683447
1-[(2,3,4,5,6-pentafluorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175324734
1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 67141919
N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine
CID 163547256
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
CID 151654527
1-(2,4,10-trioxatricyclo[3.3.1.13,7]decan-3-ylmethyl)-9H-pyrido[3,4-b]indole
CID 10914249
bis(9H-carbazole);1-chloro-3-phenylbenzene;1,3,5-triazine
CID 160708594
1-(pyridin-3-ylmethyl)-9H-carbazole
CID 66606806
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56680103
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole (CID 175008340) is 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole is Clc1cccc(Cc2nccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole?
The InChIKey is XGMMNMURWPJZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2/c19-13-5-3-4-12(10-13)11-17-18-15(8-9-20-17)14-6-1-2-7-16(14)21-18/h1-10,21H,11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole?
1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole has a molecular weight of 292.77 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 175008340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).