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

C19H20ClNO — CID 56976607

IUPAC5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3C(Cl)C12
InChIInChI=1S/C19H20ClNO/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/h4-7,9,13,15-17H,8H2,1-3H3
InChIKeyOWPCYDYMMJTULS-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.39
Rot. Bonds

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

5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (PubChem CID 56976607) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.

Molecular Properties

Compound Name5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
PubChem CID56976607
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3C(Cl)C12
InChIInChI=1S/C19H20ClNO/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/h4-7,9,13,15-17H,8H2,1-3H3
InChIKeyOWPCYDYMMJTULS-UHFFFAOYSA-N
XLogP4.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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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
5-chloro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57124185
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The IUPAC name of 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (CID 56976607) is 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.
What is the SMILES notation for 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The canonical SMILES for 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is CC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3C(Cl)C12.
What is the InChIKey of 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The InChIKey is OWPCYDYMMJTULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/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/h4-7,9,13,15-17H,8H2,1-3H3.
What are the key properties of 5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
5-chloro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one has a molecular weight of 313.83 g/mol, XLogP of 4.39, 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-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is sourced from PubChem (CID 56976607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).