6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole

C15H12Cl2N2O — CID 21362696

IUPAC6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole
SMILESClc1cc2c([nH]c3cnccc32)c(Cl)c1OCC1CC1
InChIInChI=1S/C15H12Cl2N2O/c16-11-5-10-9-3-4-18-6-12(9)19-14(10)13(17)15(11)20-7-8-1-2-8/h3-6,8,19H,1-2,7H2
InChIKeyUHUORUOGWKYIIT-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.81
Rot. Bonds3

About 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole

6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole (PubChem CID 21362696) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole
PubChem CID21362696
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole
SMILESClc1cc2c([nH]c3cnccc32)c(Cl)c1OCC1CC1
InChIInChI=1S/C15H12Cl2N2O/c16-11-5-10-9-3-4-18-6-12(9)19-14(10)13(17)15(11)20-7-8-1-2-8/h3-6,8,19H,1-2,7H2
InChIKeyUHUORUOGWKYIIT-UHFFFAOYSA-N
XLogP4.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole (CID 21362696) is 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole is Clc1cc2c([nH]c3cnccc32)c(Cl)c1OCC1CC1.
What is the InChIKey of 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole?
The InChIKey is UHUORUOGWKYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-11-5-10-9-3-4-18-6-12(9)19-14(10)13(17)15(11)20-7-8-1-2-8/h3-6,8,19H,1-2,7H2.
What are the key properties of 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole?
6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole has a molecular weight of 307.18 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-7-(cyclopropylmethoxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 21362696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).