4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C18H18ClNO4 — CID 17285543

IUPAC4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C18H18ClNO4/c1-22-14-9-13-16(18(24-3)17(14)23-2)12(8-15(21)20-13)10-4-6-11(19)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,20,21)
InChIKeyYLKDOFDRGRVLMX-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17285543) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID17285543
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C18H18ClNO4/c1-22-14-9-13-16(18(24-3)17(14)23-2)12(8-15(21)20-13)10-4-6-11(19)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,20,21)
InChIKeyYLKDOFDRGRVLMX-UHFFFAOYSA-N
XLogP3.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 17285543) is 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1ccc(Cl)cc1)CC(=O)N2.
What is the InChIKey of 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YLKDOFDRGRVLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-14-9-13-16(18(24-3)17(14)23-2)12(8-15(21)20-13)10-4-6-11(19)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 347.80 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17285543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).