7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione

C23H17NO4 — CID 171356035

IUPAC7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
SMILESCOc1ccc(-c2c3c(nc4c2c(=O)oc2ccccc24)CCCC3=O)cc1
InChIInChI=1S/C23H17NO4/c1-27-14-11-9-13(10-12-14)19-20-16(6-4-7-17(20)25)24-22-15-5-2-3-8-18(15)28-23(26)21(19)22/h2-3,5,8-12H,4,6-7H2,1H3
InChIKeyANIHQSLFHOANNK-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.54
Rot. Bonds2

About 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione

7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione (PubChem CID 171356035) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
PubChem CID171356035
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione
SMILESCOc1ccc(-c2c3c(nc4c2c(=O)oc2ccccc24)CCCC3=O)cc1
InChIInChI=1S/C23H17NO4/c1-27-14-11-9-13(10-12-14)19-20-16(6-4-7-17(20)25)24-22-15-5-2-3-8-18(15)28-23(26)21(19)22/h2-3,5,8-12H,4,6-7H2,1H3
InChIKeyANIHQSLFHOANNK-UHFFFAOYSA-N
XLogP4.54
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
The IUPAC name of 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione (CID 171356035) is 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione.
What is the SMILES notation for 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
The canonical SMILES for 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione is COc1ccc(-c2c3c(nc4c2c(=O)oc2ccccc24)CCCC3=O)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
The InChIKey is ANIHQSLFHOANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-27-14-11-9-13(10-12-14)19-20-16(6-4-7-17(20)25)24-22-15-5-2-3-8-18(15)28-23(26)21(19)22/h2-3,5,8-12H,4,6-7H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione?
7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione has a molecular weight of 371.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-10,11-dihydro-9H-chromeno[4,3-b]quinoline-6,8-dione is sourced from PubChem (CID 171356035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).