7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol

C18H11NO3 — CID 135453199

IUPAC7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESC#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2
InChIInChI=1S/C18H11NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h1,3-8,20-21H,9H2
InChIKeyNFDYBNVVFHAKIV-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.19
Rot. Bonds

About 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol

7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol (PubChem CID 135453199) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol.

Molecular Properties

Compound Name7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol
PubChem CID135453199
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESC#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2
InChIInChI=1S/C18H11NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h1,3-8,20-21H,9H2
InChIKeyNFDYBNVVFHAKIV-UHFFFAOYSA-N
XLogP3.19
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-vinyl-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135438472
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
4-Ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135524856
2-(4-Hydroxy-phenyl)-4-methoxy-quinolin-6-ol
CID 135424609
7-(3-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135399711
3-(3,9-dihydroxy-6H-chromeno[4,3-b]quinolin-7-yl)benzonitrile
CID 135424843
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

Frequently Asked Questions

What is the IUPAC name of 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
The IUPAC name of 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol (CID 135453199) is 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol.
What is the SMILES notation for 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
The canonical SMILES for 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol is C#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2.
What is the InChIKey of 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
The InChIKey is NFDYBNVVFHAKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h1,3-8,20-21H,9H2.
What are the key properties of 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol?
7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol has a molecular weight of 289.29 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol is sourced from PubChem (CID 135453199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).