2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one

C32H29NO6 — CID 54375977

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(OCCc4ccnc5ccccc45)cc3o2)cc1OC1CCCC1
InChIInChI=1S/C32H29NO6/c1-36-28-11-10-21(16-30(28)38-22-6-2-3-7-22)29-19-27(35)32-26(34)17-23(18-31(32)39-29)37-15-13-20-12-14-33-25-9-5-4-8-24(20)25/h4-5,8-12,14,16-19,22,34H,2-3,6-7,13,15H2,1H3
InChIKeyUWMUSZPMZDBJTD-UHFFFAOYSA-N
MW523.59 g/mol
LogP6.67
Rot. Bonds8

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one

2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one (PubChem CID 54375977) has the molecular formula C32H29NO6 and a molecular weight of 523.59 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one
PubChem CID54375977
Molecular FormulaC32H29NO6
Molecular Weight523.59 g/mol
Exact Mass523.20
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(OCCc4ccnc5ccccc45)cc3o2)cc1OC1CCCC1
InChIInChI=1S/C32H29NO6/c1-36-28-11-10-21(16-30(28)38-22-6-2-3-7-22)29-19-27(35)32-26(34)17-23(18-31(32)39-29)37-15-13-20-12-14-33-25-9-5-4-8-24(20)25/h4-5,8-12,14,16-19,22,34H,2-3,6-7,13,15H2,1H3
InChIKeyUWMUSZPMZDBJTD-UHFFFAOYSA-N
XLogP6.67
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one (CID 54375977) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one is COc1ccc(-c2cc(=O)c3c(O)cc(OCCc4ccnc5ccccc45)cc3o2)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one?
The InChIKey is UWMUSZPMZDBJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO6/c1-36-28-11-10-21(16-30(28)38-22-6-2-3-7-22)29-19-27(35)32-26(34)17-23(18-31(32)39-29)37-15-13-20-12-14-33-25-9-5-4-8-24(20)25/h4-5,8-12,14,16-19,22,34H,2-3,6-7,13,15H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one?
2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one has a molecular weight of 523.59 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-7-(2-quinolin-4-ylethoxy)chromen-4-one is sourced from PubChem (CID 54375977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).