3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile

C17H10N2O3 — CID 135508229

IUPAC3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile
SMILESN#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2
InChIInChI=1S/C17H10N2O3/c18-7-13-12-5-9(20)2-4-15(12)19-17-11-3-1-10(21)6-16(11)22-8-14(13)17/h1-6,20-21H,8H2
InChIKeyBEPBQWCCVBVLGI-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.08
Rot. Bonds

About 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile

3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile (PubChem CID 135508229) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile.

Molecular Properties

Compound Name3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile
PubChem CID135508229
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile
SMILESN#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2
InChIInChI=1S/C17H10N2O3/c18-7-13-12-5-9(20)2-4-15(12)19-17-11-3-1-10(21)6-16(11)22-8-14(13)17/h1-6,20-21H,8H2
InChIKeyBEPBQWCCVBVLGI-UHFFFAOYSA-N
XLogP3.08
TPSA86.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile?
The IUPAC name of 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile (CID 135508229) is 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile.
What is the SMILES notation for 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile?
The canonical SMILES for 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile is N#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2.
What is the InChIKey of 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile?
The InChIKey is BEPBQWCCVBVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c18-7-13-12-5-9(20)2-4-15(12)19-17-11-3-1-10(21)6-16(11)22-8-14(13)17/h1-6,20-21H,8H2.
What are the key properties of 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile?
3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile has a molecular weight of 290.28 g/mol, XLogP of 3.08, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile is sourced from PubChem (CID 135508229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).