2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one

C22H24ClNO3 — CID 3070246

IUPAC2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one
SMILESCCN(CC)Cc1c(OC)ccc2c(=O)c(C)c(-c3ccc(Cl)cc3)oc12
InChIInChI=1S/C22H24ClNO3/c1-5-24(6-2)13-18-19(26-4)12-11-17-20(25)14(3)21(27-22(17)18)15-7-9-16(23)10-8-15/h7-12H,5-6,13H2,1-4H3
InChIKeyLWLNYRLTTRMKJI-UHFFFAOYSA-N
MW385.89 g/mol
LogP5.27
Rot. Bonds6

About 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one

2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one (PubChem CID 3070246) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one
PubChem CID3070246
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one
SMILESCCN(CC)Cc1c(OC)ccc2c(=O)c(C)c(-c3ccc(Cl)cc3)oc12
InChIInChI=1S/C22H24ClNO3/c1-5-24(6-2)13-18-19(26-4)12-11-17-20(25)14(3)21(27-22(17)18)15-7-9-16(23)10-8-15/h7-12H,5-6,13H2,1-4H3
InChIKeyLWLNYRLTTRMKJI-UHFFFAOYSA-N
XLogP5.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one (CID 3070246) is 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one is CCN(CC)Cc1c(OC)ccc2c(=O)c(C)c(-c3ccc(Cl)cc3)oc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one?
The InChIKey is LWLNYRLTTRMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO3/c1-5-24(6-2)13-18-19(26-4)12-11-17-20(25)14(3)21(27-22(17)18)15-7-9-16(23)10-8-15/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one?
2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one has a molecular weight of 385.89 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one is sourced from PubChem (CID 3070246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).