7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one

C12H10N2O2 — CID 115028648

IUPAC7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCc1[nH]c(=O)cc2c1[nH]c1cc(O)ccc12
InChIInChI=1S/C12H10N2O2/c1-6-12-9(5-11(16)13-6)8-3-2-7(15)4-10(8)14-12/h2-5,14-15H,1H3,(H,13,16)
InChIKeyXYWJZIJYCSLHNH-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.02
Rot. Bonds

About 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one

7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one (PubChem CID 115028648) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
PubChem CID115028648
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCc1[nH]c(=O)cc2c1[nH]c1cc(O)ccc12
InChIInChI=1S/C12H10N2O2/c1-6-12-9(5-11(16)13-6)8-3-2-7(15)4-10(8)14-12/h2-5,14-15H,1H3,(H,13,16)
InChIKeyXYWJZIJYCSLHNH-UHFFFAOYSA-N
XLogP2.02
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dihydroxy-10H-acridin-9-one
CID 14086995
4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione
CID 171549932
7-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115023788
6-methyl-9H-carbazol-2-ol
CID 91665228
1-(6-hydroxy-3-methyl-1H-indol-2-yl)ethanone
CID 82404714
CID 70460275
CID 70460275
8-hydroxy-10H-furo[3,2-a]carbazole-4-carbaldehyde
CID 11322692
2-methyl-9H-carbazole-1,6-diol
CID 171715126
2,7-dihydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
CID 15767846
6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 10926420
6-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 11782794
3-tert-butyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261629

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The IUPAC name of 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one (CID 115028648) is 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one.
What is the SMILES notation for 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The canonical SMILES for 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one is Cc1[nH]c(=O)cc2c1[nH]c1cc(O)ccc12.
What is the InChIKey of 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The InChIKey is XYWJZIJYCSLHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-6-12-9(5-11(16)13-6)8-3-2-7(15)4-10(8)14-12/h2-5,14-15H,1H3,(H,13,16).
What are the key properties of 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one?
7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one has a molecular weight of 214.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one is sourced from PubChem (CID 115028648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).