11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one

C22H13NO4 — CID 164666140

IUPAC11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one
SMILESO=c1oc2ccccc2c2nc3c(O)cccc3c(-c3ccc(O)cc3)c12
InChIInChI=1S/C22H13NO4/c24-13-10-8-12(9-11-13)18-15-5-3-6-16(25)20(15)23-21-14-4-1-2-7-17(14)27-22(26)19(18)21/h1-11,24-25H
InChIKeyONWRRGQOAOVPRF-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.57
Rot. Bonds1

About 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one

11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one (PubChem CID 164666140) has the molecular formula C22H13NO4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one.

Molecular Properties

Compound Name11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one
PubChem CID164666140
Molecular FormulaC22H13NO4
Molecular Weight355.35 g/mol
Exact Mass355.08
IUPAC Name11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one
SMILESO=c1oc2ccccc2c2nc3c(O)cccc3c(-c3ccc(O)cc3)c12
InChIInChI=1S/C22H13NO4/c24-13-10-8-12(9-11-13)18-15-5-3-6-16(25)20(15)23-21-14-4-1-2-7-17(14)27-22(26)19(18)21/h1-11,24-25H
InChIKeyONWRRGQOAOVPRF-UHFFFAOYSA-N
XLogP4.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

14,16-dimethyl-11-phenyl-8-oxa-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17)-hexaene-9,13,15-trione
CID 146036446
9-phenylacridin-4-ol
CID 59256664
4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412
7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
CID 171356035
7-chloro-8-hydroxybenzo[c]chromen-6-one
CID 164598055
2-(4-hydroxyphenyl)benzo[f]chromen-3-one
CID 102366848
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
5-hydroxy-3-methyl-1,4-benzoxazin-2-one
CID 5359943
2-[4-(4-hydroxyphenyl)-6-(3-oxobenzo[f]chromen-2-yl)-2-pyridinyl]benzo[f]chromen-3-one
CID 155812709
7-(2-chlorophenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
CID 171351726
chromeno[3,4-b]pyrazin-5-one
CID 691239
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one?
The IUPAC name of 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one (CID 164666140) is 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one.
What is the SMILES notation for 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one?
The canonical SMILES for 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one is O=c1oc2ccccc2c2nc3c(O)cccc3c(-c3ccc(O)cc3)c12.
What is the InChIKey of 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one?
The InChIKey is ONWRRGQOAOVPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO4/c24-13-10-8-12(9-11-13)18-15-5-3-6-16(25)20(15)23-21-14-4-1-2-7-17(14)27-22(26)19(18)21/h1-11,24-25H.
What are the key properties of 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one?
11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one has a molecular weight of 355.35 g/mol, XLogP of 4.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-7-(4-hydroxyphenyl)chromeno[4,3-b]quinolin-6-one is sourced from PubChem (CID 164666140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).