N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide

C18H12N4O2 — CID 821634

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C18H12N4O2/c23-17(15-10-9-11-5-1-3-7-13(11)19-15)22-21-16-12-6-2-4-8-14(12)20-18(16)24/h1-10,20,24H/b22-21+
InChIKeyFMJXPWRXAJUTFB-QURGRASLSA-N
MW316.32 g/mol
LogP4.35
Rot. Bonds2

About N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide

N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide (PubChem CID 821634) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
PubChem CID821634
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C18H12N4O2/c23-17(15-10-9-11-5-1-3-7-13(11)19-15)22-21-16-12-6-2-4-8-14(12)20-18(16)24/h1-10,20,24H/b22-21+
InChIKeyFMJXPWRXAJUTFB-QURGRASLSA-N
XLogP4.35
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide (CID 821634) is N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide?
The InChIKey is FMJXPWRXAJUTFB-QURGRASLSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-17(15-10-9-11-5-1-3-7-13(11)19-15)22-21-16-12-6-2-4-8-14(12)20-18(16)24/h1-10,20,24H/b22-21+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide is sourced from PubChem (CID 821634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).