5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one

C31H31NO7 — CID 16746461

IUPAC5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1
InChIInChI=1S/C31H31NO7/c1-35-22-11-9-21(10-12-22)23(17-27(33)32-13-15-38-16-14-32)29-25(36-2)19-26(37-3)30-24(18-28(34)39-31(29)30)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3
InChIKeyYDXAUZSBJRMVPO-UHFFFAOYSA-N
MW529.59 g/mol
LogP4.87
Rot. Bonds8

About 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one

5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one (PubChem CID 16746461) has the molecular formula C31H31NO7 and a molecular weight of 529.59 g/mol. Its IUPAC name is 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one
PubChem CID16746461
Molecular FormulaC31H31NO7
Molecular Weight529.59 g/mol
Exact Mass529.21
IUPAC Name5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1
InChIInChI=1S/C31H31NO7/c1-35-22-11-9-21(10-12-22)23(17-27(33)32-13-15-38-16-14-32)29-25(36-2)19-26(37-3)30-24(18-28(34)39-31(29)30)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3
InChIKeyYDXAUZSBJRMVPO-UHFFFAOYSA-N
XLogP4.87
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.59
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one?
The IUPAC name of 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one (CID 16746461) is 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one.
What is the SMILES notation for 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one?
The canonical SMILES for 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one is COc1ccc(C(CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1.
What is the InChIKey of 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one?
The InChIKey is YDXAUZSBJRMVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO7/c1-35-22-11-9-21(10-12-22)23(17-27(33)32-13-15-38-16-14-32)29-25(36-2)19-26(37-3)30-24(18-28(34)39-31(29)30)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3.
What are the key properties of 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one?
5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one has a molecular weight of 529.59 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-4-phenylchromen-2-one is sourced from PubChem (CID 16746461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).