5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one

C19H18ClNO — CID 57124185

IUPAC5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3=C(Cl)C12
InChIInChI=1S/C19H18ClNO/c1-10-9-19(2,3)21-14-8-13-16(17(20)15(10)14)11-6-4-5-7-12(11)18(13)22/h4-7,9,13,15H,8H2,1-3H3
InChIKeyYULCWKGFQNNEFA-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.65
Rot. Bonds

About 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one

5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one (PubChem CID 57124185) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one.

Molecular Properties

Compound Name5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
PubChem CID57124185
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3=C(Cl)C12
InChIInChI=1S/C19H18ClNO/c1-10-9-19(2,3)21-14-8-13-16(17(20)15(10)14)11-6-4-5-7-12(11)18(13)22/h4-7,9,13,15H,8H2,1-3H3
InChIKeyYULCWKGFQNNEFA-UHFFFAOYSA-N
XLogP4.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one with MolForge

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

Launch Full Analysis

Related Compounds

8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56989253
7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56993600
6-fluoro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57124811
6-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57138398
5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57242231
2-(4a,8a-Dihydroquinolin-2-yl)indene-1,3-dione
CID 20678030
5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56976607
2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57202439
1-(2,2,4-Trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone
CID 57305498
8-(1-phenylethylidenehydrazinylidene)-8aH-fluoren-9-one
CID 87656191
2-Methyl-3-methyliminoinden-1-one
CID 142055445
(2E)-3-(4-methyliminooctan-2-ylidene)-2-(2-methylprop-2-enylidene)inden-1-one
CID 143481483

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one?
The IUPAC name of 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one (CID 57124185) is 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one.
What is the SMILES notation for 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one?
The canonical SMILES for 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one is CC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3=C(Cl)C12.
What is the InChIKey of 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one?
The InChIKey is YULCWKGFQNNEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-10-9-19(2,3)21-14-8-13-16(17(20)15(10)14)11-6-4-5-7-12(11)18(13)22/h4-7,9,13,15H,8H2,1-3H3.
What are the key properties of 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one?
5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one has a molecular weight of 311.81 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one is sourced from PubChem (CID 57124185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).