8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one

C18H14ClN3O — CID 118156406

IUPAC8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1cc(-c2c(C)c(=O)[nH]c3c2[nH]c2ccc(Cl)cc23)ccn1
InChIInChI=1S/C18H14ClN3O/c1-9-7-11(5-6-20-9)15-10(2)18(23)22-16-13-8-12(19)3-4-14(13)21-17(15)16/h3-8,21H,1-2H3,(H,22,23)
InChIKeyLPMXCDFJVJOZHY-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.34
Rot. Bonds1

About 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one

8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one (PubChem CID 118156406) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Name8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one
PubChem CID118156406
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1cc(-c2c(C)c(=O)[nH]c3c2[nH]c2ccc(Cl)cc23)ccn1
InChIInChI=1S/C18H14ClN3O/c1-9-7-11(5-6-20-9)15-10(2)18(23)22-16-13-8-12(19)3-4-14(13)21-17(15)16/h3-8,21H,1-2H3,(H,22,23)
InChIKeyLPMXCDFJVJOZHY-UHFFFAOYSA-N
XLogP4.34
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The IUPAC name of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one (CID 118156406) is 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one.
What is the SMILES notation for 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The canonical SMILES for 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one is Cc1cc(-c2c(C)c(=O)[nH]c3c2[nH]c2ccc(Cl)cc23)ccn1.
What is the InChIKey of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The InChIKey is LPMXCDFJVJOZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-9-7-11(5-6-20-9)15-10(2)18(23)22-16-13-8-12(19)3-4-14(13)21-17(15)16/h3-8,21H,1-2H3,(H,22,23).
What are the key properties of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one has a molecular weight of 323.78 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one is sourced from PubChem (CID 118156406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).