N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide

C19H19ClN2O3 — CID 18724754

IUPACN-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)CC(=O)N2
InChIInChI=1S/C19H19ClN2O3/c1-10-6-4-5-7-11(10)18(25)21-13-8-12(20)16-15(17(13)24)19(2,3)9-14(23)22-16/h4-8,24H,9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPGPLRKSKNFDLGY-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.23
Rot. Bonds2

About N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide

N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide (PubChem CID 18724754) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide
PubChem CID18724754
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)CC(=O)N2
InChIInChI=1S/C19H19ClN2O3/c1-10-6-4-5-7-11(10)18(25)21-13-8-12(20)16-15(17(13)24)19(2,3)9-14(23)22-16/h4-8,24H,9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPGPLRKSKNFDLGY-UHFFFAOYSA-N
XLogP4.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide?
The IUPAC name of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide (CID 18724754) is N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide.
What is the SMILES notation for N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide?
The canonical SMILES for N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)CC(=O)N2.
What is the InChIKey of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide?
The InChIKey is PGPLRKSKNFDLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-10-6-4-5-7-11(10)18(25)21-13-8-12(20)16-15(17(13)24)19(2,3)9-14(23)22-16/h4-8,24H,9H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide?
N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide has a molecular weight of 358.83 g/mol, XLogP of 4.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide is sourced from PubChem (CID 18724754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).