4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one

C18H15N3O — CID 169316028

IUPAC4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESCc1cccc(Nc2c[nH]c(=O)c3[nH]c4ccccc4c23)c1
InChIInChI=1S/C18H15N3O/c1-11-5-4-6-12(9-11)20-15-10-19-18(22)17-16(15)13-7-2-3-8-14(13)21-17/h2-10,20-21H,1H3,(H,19,22)
InChIKeyFSHNWKYALUKDAF-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.06
Rot. Bonds2

About 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one

4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one (PubChem CID 169316028) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one
PubChem CID169316028
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESCc1cccc(Nc2c[nH]c(=O)c3[nH]c4ccccc4c23)c1
InChIInChI=1S/C18H15N3O/c1-11-5-4-6-12(9-11)20-15-10-19-18(22)17-16(15)13-7-2-3-8-14(13)21-17/h2-10,20-21H,1H3,(H,19,22)
InChIKeyFSHNWKYALUKDAF-UHFFFAOYSA-N
XLogP4.06
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one
CID 178165297
4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one
CID 169316038
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
3,5-dihydro-2H-pyrazolo[3,4-c]quinoline-1,4-dione
CID 23366809
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
N-(3-chlorophenyl)-1H-indol-3-amine
CID 144941155
1-methyl-N-phenyl-9H-carbazol-2-amine
CID 178015352
6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one
CID 159330375
N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide
CID 166776296
7-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10776936
3-tert-butyl-N-(3-methylphenyl)naphthalen-1-amine
CID 171341912
4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13,15,17-hexaene-3,5,8,10-tetrone
CID 10086414

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one?
The IUPAC name of 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one (CID 169316028) is 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one is Cc1cccc(Nc2c[nH]c(=O)c3[nH]c4ccccc4c23)c1.
What is the InChIKey of 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one?
The InChIKey is FSHNWKYALUKDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-5-4-6-12(9-11)20-15-10-19-18(22)17-16(15)13-7-2-3-8-14(13)21-17/h2-10,20-21H,1H3,(H,19,22).
What are the key properties of 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one?
4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one has a molecular weight of 289.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 169316028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).