3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile

C23H14N2O3 — CID 135424843

IUPAC3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1
InChIInChI=1S/C23H14N2O3/c24-11-13-2-1-3-14(8-13)22-18-9-15(26)5-7-20(18)25-23-17-6-4-16(27)10-21(17)28-12-19(22)23/h1-10,26-27H,12H2
InChIKeyPVRYNAMCPXJOBS-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.74
Rot. Bonds1

About 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile

3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile (PubChem CID 135424843) has the molecular formula C23H14N2O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile
PubChem CID135424843
Molecular FormulaC23H14N2O3
Molecular Weight366.38 g/mol
Exact Mass366.10
IUPAC Name3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1
InChIInChI=1S/C23H14N2O3/c24-11-13-2-1-3-14(8-13)22-18-9-15(26)5-7-20(18)25-23-17-6-4-16(27)10-21(17)28-12-19(22)23/h1-10,26-27H,12H2
InChIKeyPVRYNAMCPXJOBS-UHFFFAOYSA-N
XLogP4.74
TPSA86.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-vinyl-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135438472
7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135453199
7-ethyl-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135466462
7-chloro-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135466468
7-bromo-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135520118
7-(3-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135399711
4-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile
CID 135427962
7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135438509
3,9-DIHYDROXY-7-[4-(TRIFLUOROMETHYL)PHENYL]-6H-CHROMENO[4,3-b]QUINOLINE
CID 135446024
7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135461031
7-(4-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135508068
3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbonitrile
CID 135508229

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile?
The IUPAC name of 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile (CID 135424843) is 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile.
What is the SMILES notation for 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile?
The canonical SMILES for 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile is N#Cc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1.
What is the InChIKey of 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile?
The InChIKey is PVRYNAMCPXJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O3/c24-11-13-2-1-3-14(8-13)22-18-9-15(26)5-7-20(18)25-23-17-6-4-16(27)10-21(17)28-12-19(22)23/h1-10,26-27H,12H2.
What are the key properties of 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile?
3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile has a molecular weight of 366.38 g/mol, XLogP of 4.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile is sourced from PubChem (CID 135424843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).