5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole

C15H19ClN2O — CID 84743372

IUPAC5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc(Cl)c2c3c(n(C)c12)CNC(C)(C)C3
InChIInChI=1S/C15H19ClN2O/c1-15(2)7-9-11(8-17-15)18(3)14-12(19-4)6-5-10(16)13(9)14/h5-6,17H,7-8H2,1-4H3
InChIKeyVDBGSKGKGJFLHF-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.26
Rot. Bonds1

About 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole

5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 84743372) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID84743372
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc(Cl)c2c3c(n(C)c12)CNC(C)(C)C3
InChIInChI=1S/C15H19ClN2O/c1-15(2)7-9-11(8-17-15)18(3)14-12(19-4)6-5-10(16)13(9)14/h5-6,17H,7-8H2,1-4H3
InChIKeyVDBGSKGKGJFLHF-UHFFFAOYSA-N
XLogP3.26
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole with MolForge

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Related Compounds

6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
CID 84742504
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
5-chloro-8-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-amine
CID 84742810
1-(4-chloro-7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 83868411
4-chloro-7-methoxy-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84642947
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
CID 11683670
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 83488134
(8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742511
4-chloro-7-methoxyisoindole-1,3-dione
CID 86201786
3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid
CID 54772922
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
CID 11546231
2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (CID 84743372) is 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is COc1ccc(Cl)c2c3c(n(C)c12)CNC(C)(C)C3.
What is the InChIKey of 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is VDBGSKGKGJFLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-15(2)7-9-11(8-17-15)18(3)14-12(19-4)6-5-10(16)13(9)14/h5-6,17H,7-8H2,1-4H3.
What are the key properties of 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 278.78 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 84743372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).