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

C18H11N3O4 — CID 135672174

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H11N3O4/c22-16(12-9-10-5-1-4-8-14(10)25-18(12)24)21-20-15-11-6-2-3-7-13(11)19-17(15)23/h1-9,19,23H/b21-20+
InChIKeyRCHFNTCKKWKNRW-QZQOTICOSA-N
MW333.30 g/mol
LogP3.90
Rot. Bonds2

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide (PubChem CID 135672174) has the molecular formula C18H11N3O4 and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide
PubChem CID135672174
Molecular FormulaC18H11N3O4
Molecular Weight333.30 g/mol
Exact Mass333.07
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H11N3O4/c22-16(12-9-10-5-1-4-8-14(10)25-18(12)24)21-20-15-11-6-2-3-7-13(11)19-17(15)23/h1-9,19,23H/b21-20+
InChIKeyRCHFNTCKKWKNRW-QZQOTICOSA-N
XLogP3.90
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide (CID 135672174) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide?
The InChIKey is RCHFNTCKKWKNRW-QZQOTICOSA-N. The full InChI is InChI=1S/C18H11N3O4/c22-16(12-9-10-5-1-4-8-14(10)25-18(12)24)21-20-15-11-6-2-3-7-13(11)19-17(15)23/h1-9,19,23H/b21-20+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 135672174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).