4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol

C18H11N3O2 — CID 135989965

IUPAC4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol
SMILES[C-]#[N+]c1cc2c(Oc3ccc4[nH]ccc4c3)ccnc2cc1O
InChIInChI=1S/C18H11N3O2/c1-19-16-9-13-15(10-17(16)22)21-7-5-18(13)23-12-2-3-14-11(8-12)4-6-20-14/h2-10,20,22H
InChIKeySGMLHAZSKFRXJI-UHFFFAOYSA-N
MW301.31 g/mol
LogP4.76
Rot. Bonds2

About 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol

4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol (PubChem CID 135989965) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol.

Molecular Properties

Compound Name4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol
PubChem CID135989965
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol
SMILES[C-]#[N+]c1cc2c(Oc3ccc4[nH]ccc4c3)ccnc2cc1O
InChIInChI=1S/C18H11N3O2/c1-19-16-9-13-15(10-17(16)22)21-7-5-18(13)23-12-2-3-14-11(8-12)4-6-20-14/h2-10,20,22H
InChIKeySGMLHAZSKFRXJI-UHFFFAOYSA-N
XLogP4.76
TPSA62.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxylate
CID 22936605
4-(1H-indol-5-yloxy)pyridin-3-amine
CID 15053115
sodium 4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]-6-isocyanoquinolin-7-olate
CID 58931025
4-(1H-indol-5-yloxymethyl)quinoline
CID 80648654
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
5-(4-methoxyphenoxy)-1H-indole
CID 19042832
tert-butyl 4-(1H-indol-5-yloxy)-5,6,7,9-tetrahydropyrido[2,3-c]azepine-8-carboxylate
CID 59394123
1-[4-[7-[3-(dimethylamino)propoxy]-6-isocyanoquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one
CID 58272299
1-(1H-benzimidazol-2-yl)-3-[4-[6-isocyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]urea
CID 58931078
4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
CID 135621708
5-benzo[a]anthracen-1-yloxy-1H-indole
CID 175235932
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol?
The IUPAC name of 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol (CID 135989965) is 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol.
What is the SMILES notation for 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol?
The canonical SMILES for 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol is [C-]#[N+]c1cc2c(Oc3ccc4[nH]ccc4c3)ccnc2cc1O.
What is the InChIKey of 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol?
The InChIKey is SGMLHAZSKFRXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c1-19-16-9-13-15(10-17(16)22)21-7-5-18(13)23-12-2-3-14-11(8-12)4-6-20-14/h2-10,20,22H.
What are the key properties of 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol?
4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol has a molecular weight of 301.31 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yloxy)-6-isocyanoquinolin-7-ol is sourced from PubChem (CID 135989965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).