8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one

C15H16N2O — CID 115043749

IUPAC8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCCCc1[nH]c(=O)cc2c1[nH]c1c(C)cccc12
InChIInChI=1S/C15H16N2O/c1-3-5-12-15-11(8-13(18)16-12)10-7-4-6-9(2)14(10)17-15/h4,6-8,17H,3,5H2,1-2H3,(H,16,18)
InChIKeyDEFIBXQBFBDSLY-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.27
Rot. Bonds2

About 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one

8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one (PubChem CID 115043749) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one
PubChem CID115043749
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCCCc1[nH]c(=O)cc2c1[nH]c1c(C)cccc12
InChIInChI=1S/C15H16N2O/c1-3-5-12-15-11(8-13(18)16-12)10-7-4-6-9(2)14(10)17-15/h4,6-8,17H,3,5H2,1-2H3,(H,16,18)
InChIKeyDEFIBXQBFBDSLY-UHFFFAOYSA-N
XLogP3.27
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115037629
8-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 115021368
4-amino-8-methyl-1H-quinolin-2-one
CID 14627645
N-ethyl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016604
7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
8-methyl-4-pyrrolidin-1-yl-1H-quinolin-2-one
CID 14627344
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
CID 115043759
(8-methyl-2-oxo-1H-quinolin-4-yl)methylthiourea
CID 23661256
4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
CID 15749846
5-ethyl-6-propyl-1H-pyridin-2-one
CID 89293875
2-(3,7-dimethyl-1H-indol-2-yl)acetaldehyde
CID 112710904

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The IUPAC name of 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one (CID 115043749) is 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one.
What is the SMILES notation for 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The canonical SMILES for 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one is CCCc1[nH]c(=O)cc2c1[nH]c1c(C)cccc12.
What is the InChIKey of 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The InChIKey is DEFIBXQBFBDSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-5-12-15-11(8-13(18)16-12)10-7-4-6-9(2)14(10)17-15/h4,6-8,17H,3,5H2,1-2H3,(H,16,18).
What are the key properties of 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one?
8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one has a molecular weight of 240.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one is sourced from PubChem (CID 115043749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).