6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one

C22H28N2O2 — CID 122179359

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one
SMILESCc1noc(C)c1-c1cc2c(c3c1CCCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H28N2O2/c1-12-18(13(2)26-24-12)16-11-17-19(15-10-8-7-9-14(15)16)23-22(5,6)20(25)21(17,3)4/h11,23H,7-10H2,1-6H3
InChIKeyNCKMIPZAZKMFMA-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.89
Rot. Bonds1

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one (PubChem CID 122179359) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one
PubChem CID122179359
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one
SMILESCc1noc(C)c1-c1cc2c(c3c1CCCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H28N2O2/c1-12-18(13(2)26-24-12)16-11-17-19(15-10-8-7-9-14(15)16)23-22(5,6)20(25)21(17,3)4/h11,23H,7-10H2,1-6H3
InChIKeyNCKMIPZAZKMFMA-UHFFFAOYSA-N
XLogP4.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one (CID 122179359) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one is Cc1noc(C)c1-c1cc2c(c3c1CCCC3)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one?
The InChIKey is NCKMIPZAZKMFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-12-18(13(2)26-24-12)16-11-17-19(15-10-8-7-9-14(15)16)23-22(5,6)20(25)21(17,3)4/h11,23H,7-10H2,1-6H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one has a molecular weight of 352.48 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one is sourced from PubChem (CID 122179359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).