7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one

C18H21ClN2O2 — CID 122179357

IUPAC7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one
SMILESCc1noc(C)c1-c1cc2c(cc1Cl)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C18H21ClN2O2/c1-9-15(10(2)23-21-9)11-7-12-14(8-13(11)19)20-18(5,6)16(22)17(12,3)4/h7-8,20H,1-6H3
InChIKeyWOYXGESYPYMTAQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.66
Rot. Bonds1

About 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one

7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one (PubChem CID 122179357) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one.

Molecular Properties

Compound Name7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one
PubChem CID122179357
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one
SMILESCc1noc(C)c1-c1cc2c(cc1Cl)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C18H21ClN2O2/c1-9-15(10(2)23-21-9)11-7-12-14(8-13(11)19)20-18(5,6)16(22)17(12,3)4/h7-8,20H,1-6H3
InChIKeyWOYXGESYPYMTAQ-UHFFFAOYSA-N
XLogP4.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one?
The IUPAC name of 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one (CID 122179357) is 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one.
What is the SMILES notation for 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one?
The canonical SMILES for 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one is Cc1noc(C)c1-c1cc2c(cc1Cl)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one?
The InChIKey is WOYXGESYPYMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-9-15(10(2)23-21-9)11-7-12-14(8-13(11)19)20-18(5,6)16(22)17(12,3)4/h7-8,20H,1-6H3.
What are the key properties of 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one?
7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one has a molecular weight of 332.83 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one is sourced from PubChem (CID 122179357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).