6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one

C23H17ClFNO3 — CID 90676097

IUPAC6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(F)cc4)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C23H17ClFNO3/c1-13-22(23(27)18-11-19(24)21(28-2)12-20(18)26-13)14-3-7-16(8-4-14)29-17-9-5-15(25)6-10-17/h3-12H,1-2H3,(H,26,27)
InChIKeyAVKPNFBAISOFRY-UHFFFAOYSA-N
MW409.84 g/mol
LogP6.10
Rot. Bonds4

About 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one

6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 90676097) has the molecular formula C23H17ClFNO3 and a molecular weight of 409.84 g/mol. Its IUPAC name is 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID90676097
Molecular FormulaC23H17ClFNO3
Molecular Weight409.84 g/mol
Exact Mass409.09
IUPAC Name6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(F)cc4)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C23H17ClFNO3/c1-13-22(23(27)18-11-19(24)21(28-2)12-20(18)26-13)14-3-7-16(8-4-14)29-17-9-5-15(25)6-10-17/h3-12H,1-2H3,(H,26,27)
InChIKeyAVKPNFBAISOFRY-UHFFFAOYSA-N
XLogP6.10
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.84
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one (CID 90676097) is 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one is COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(F)cc4)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is AVKPNFBAISOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO3/c1-13-22(23(27)18-11-19(24)21(28-2)12-20(18)26-13)14-3-7-16(8-4-14)29-17-9-5-15(25)6-10-17/h3-12H,1-2H3,(H,26,27).
What are the key properties of 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 409.84 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 90676097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).