[2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

C19H21N3O2 — CID 170723130

IUPAC[2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCN1CC(C2=NC(CO)CO2)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C19H21N3O2/c1-22-8-12(19-21-13(9-23)10-24-19)5-15-14-3-2-4-16-18(14)11(7-20-16)6-17(15)22/h2-5,7,12-13,17,20,23H,6,8-10H2,1H3
InChIKeyCMNDYXZMCZAAJU-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.83
Rot. Bonds2

About [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

[2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 170723130) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID170723130
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCN1CC(C2=NC(CO)CO2)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C19H21N3O2/c1-22-8-12(19-21-13(9-23)10-24-19)5-15-14-3-2-4-16-18(14)11(7-20-16)6-17(15)22/h2-5,7,12-13,17,20,23H,6,8-10H2,1H3
InChIKeyCMNDYXZMCZAAJU-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol 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 [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 170723130) is [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol is CN1CC(C2=NC(CO)CO2)C=C2c3cccc4[nH]cc(c34)CC21.
What is the InChIKey of [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is CMNDYXZMCZAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22-8-12(19-21-13(9-23)10-24-19)5-15-14-3-2-4-16-18(14)11(7-20-16)6-17(15)22/h2-5,7,12-13,17,20,23H,6,8-10H2,1H3.
What are the key properties of [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 323.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 170723130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).