N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide

C20H16N4O2 — CID 788839

IUPACN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)/N=N/c1c(O)[nH]c2c(C)cccc12
InChIInChI=1S/C20H16N4O2/c1-11-6-5-8-14-17(11)22-20(26)18(14)23-24-19(25)15-10-13-7-3-4-9-16(13)21-12(15)2/h3-10,22,26H,1-2H3/b24-23+
InChIKeyAYDJSCCNRBEKJU-WCWDXBQESA-N
MW344.37 g/mol
LogP4.96
Rot. Bonds2

About N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide

N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide (PubChem CID 788839) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
PubChem CID788839
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)/N=N/c1c(O)[nH]c2c(C)cccc12
InChIInChI=1S/C20H16N4O2/c1-11-6-5-8-14-17(11)22-20(26)18(14)23-24-19(25)15-10-13-7-3-4-9-16(13)21-12(15)2/h3-10,22,26H,1-2H3/b24-23+
InChIKeyAYDJSCCNRBEKJU-WCWDXBQESA-N
XLogP4.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.96
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-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide (CID 788839) is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)/N=N/c1c(O)[nH]c2c(C)cccc12.
What is the InChIKey of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
The InChIKey is AYDJSCCNRBEKJU-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4O2/c1-11-6-5-8-14-17(11)22-20(26)18(14)23-24-19(25)15-10-13-7-3-4-9-16(13)21-12(15)2/h3-10,22,26H,1-2H3/b24-23+.
What are the key properties of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide?
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 788839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).