3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one

C18H14N2O2 — CID 174398264

IUPAC3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(CO)ccc2[nH]1
InChIInChI=1S/C18H14N2O2/c21-10-11-5-6-16-13(7-11)9-17(19-16)14-8-12-3-1-2-4-15(12)20-18(14)22/h1-9,19,21H,10H2,(H,20,22)
InChIKeyCBWWTXVPFHWHLP-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.17
Rot. Bonds2

About 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 174398264) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID174398264
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(CO)ccc2[nH]1
InChIInChI=1S/C18H14N2O2/c21-10-11-5-6-16-13(7-11)9-17(19-16)14-8-12-3-1-2-4-15(12)20-18(14)22/h1-9,19,21H,10H2,(H,20,22)
InChIKeyCBWWTXVPFHWHLP-UHFFFAOYSA-N
XLogP3.17
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one (CID 174398264) is 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1cc2cc(CO)ccc2[nH]1.
What is the InChIKey of 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is CBWWTXVPFHWHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-10-11-5-6-16-13(7-11)9-17(19-16)14-8-12-3-1-2-4-15(12)20-18(14)22/h1-9,19,21H,10H2,(H,20,22).
What are the key properties of 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 290.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 174398264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).