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

C18H17F2NO4 — CID 2997146

IUPAC4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccc(F)c(F)c1)CC(=O)N2
InChIInChI=1S/C18H17F2NO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)10(7-15(22)21-13)9-4-5-11(19)12(20)6-9/h4-6,8,10H,7H2,1-3H3,(H,21,22)
InChIKeyPVTCMTCYGPXDPW-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.46
Rot. Bonds4

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

4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2997146) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2997146
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccc(F)c(F)c1)CC(=O)N2
InChIInChI=1S/C18H17F2NO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)10(7-15(22)21-13)9-4-5-11(19)12(20)6-9/h4-6,8,10H,7H2,1-3H3,(H,21,22)
InChIKeyPVTCMTCYGPXDPW-UHFFFAOYSA-N
XLogP3.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2997146) is 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1ccc(F)c(F)c1)CC(=O)N2.
What is the InChIKey of 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PVTCMTCYGPXDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)10(7-15(22)21-13)9-4-5-11(19)12(20)6-9/h4-6,8,10H,7H2,1-3H3,(H,21,22).
What are the key properties of 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 349.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2997146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).