8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H24ClN3 — CID 59454965

IUPAC8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(Cl)ccc3n2C2=C(c3cccnc3)CCCC2)C1
InChIInChI=1S/C23H24ClN3/c1-26-12-10-23-20(15-26)19-13-17(24)8-9-22(19)27(23)21-7-3-2-6-18(21)16-5-4-11-25-14-16/h4-5,8-9,11,13-14H,2-3,6-7,10,12,15H2,1H3
InChIKeyLQOALUWQAGBMNU-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.62
Rot. Bonds2

About 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 59454965) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID59454965
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC Name8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(Cl)ccc3n2C2=C(c3cccnc3)CCCC2)C1
InChIInChI=1S/C23H24ClN3/c1-26-12-10-23-20(15-26)19-13-17(24)8-9-22(19)27(23)21-7-3-2-6-18(21)16-5-4-11-25-14-16/h4-5,8-9,11,13-14H,2-3,6-7,10,12,15H2,1H3
InChIKeyLQOALUWQAGBMNU-UHFFFAOYSA-N
XLogP5.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 59454965) is 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(Cl)ccc3n2C2=C(c3cccnc3)CCCC2)C1.
What is the InChIKey of 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is LQOALUWQAGBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c1-26-12-10-23-20(15-26)19-13-17(24)8-9-22(19)27(23)21-7-3-2-6-18(21)16-5-4-11-25-14-16/h4-5,8-9,11,13-14H,2-3,6-7,10,12,15H2,1H3.
What are the key properties of 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 377.92 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 59454965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).