(4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

C14H17NO — CID 10082004

IUPAC(4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C14H17NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5,12-13H,6-9H2,1H3/t12-,13-/m1/s1
InChIKeyGREXNIICGIQJBG-CHWSQXEVSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds

About (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

(4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 10082004) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name(4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID10082004
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C14H17NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5,12-13H,6-9H2,1H3/t12-,13-/m1/s1
InChIKeyGREXNIICGIQJBG-CHWSQXEVSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-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 (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (CID 10082004) is (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is CN1C(=O)CC[C@@H]2c3ccccc3CC[C@H]21.
What is the InChIKey of (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is GREXNIICGIQJBG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17NO/c1-15-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-5,12-13H,6-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
(4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 215.30 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 10082004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).