6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole

C23H21ClN2O2 — CID 134483570

IUPAC6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole
SMILESCc1cc(-c2cc(Cl)cc3c2[nH]c2c(C)nccc23)ccc1OC1CCOC1
InChIInChI=1S/C23H21ClN2O2/c1-13-9-15(3-4-21(13)28-17-6-8-27-12-17)19-10-16(24)11-20-18-5-7-25-14(2)22(18)26-23(19)20/h3-5,7,9-11,17,26H,6,8,12H2,1-2H3
InChIKeyVTTOVHOCEKBAQV-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.82
Rot. Bonds3

About 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole

6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole (PubChem CID 134483570) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole
PubChem CID134483570
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole
SMILESCc1cc(-c2cc(Cl)cc3c2[nH]c2c(C)nccc23)ccc1OC1CCOC1
InChIInChI=1S/C23H21ClN2O2/c1-13-9-15(3-4-21(13)28-17-6-8-27-12-17)19-10-16(24)11-20-18-5-7-25-14(2)22(18)26-23(19)20/h3-5,7,9-11,17,26H,6,8,12H2,1-2H3
InChIKeyVTTOVHOCEKBAQV-UHFFFAOYSA-N
XLogP5.82
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-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

6-chloro-1-methyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-9H-pyrido[3,4-b]indole
CID 134483324
2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine
CID 87150314
6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 134483403
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
CID 135197733
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
(1S,5R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 129261096
6-chloro-3-methyl-2-(oxolan-3-yloxy)pyridine
CID 144854870
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
4-(oxolan-3-yloxy)quinolin-8-amine
CID 83061222
4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol
CID 63563810
[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine
CID 79162624
3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole
CID 44815059

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole (CID 134483570) is 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole is Cc1cc(-c2cc(Cl)cc3c2[nH]c2c(C)nccc23)ccc1OC1CCOC1.
What is the InChIKey of 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole?
The InChIKey is VTTOVHOCEKBAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-13-9-15(3-4-21(13)28-17-6-8-27-12-17)19-10-16(24)11-20-18-5-7-25-14(2)22(18)26-23(19)20/h3-5,7,9-11,17,26H,6,8,12H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole?
6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole has a molecular weight of 392.89 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 134483570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).