N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

C21H17N3O5 — CID 137179326

IUPACN-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3ccc4ccc(=O)oc4c3)c2c1
InChIInChI=1S/C21H17N3O5/c1-11-7-12(2)19-15(8-11)20(21(27)22-19)24-23-17(25)10-28-14-5-3-13-4-6-18(26)29-16(13)9-14/h3-9,22,27H,10H2,1-2H3/b24-23+
InChIKeyGNUHCRSCGJJYSM-WCWDXBQESA-N
MW391.38 g/mol
LogP4.29
Rot. Bonds4

About N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179326) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID137179326
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3ccc4ccc(=O)oc4c3)c2c1
InChIInChI=1S/C21H17N3O5/c1-11-7-12(2)19-15(8-11)20(21(27)22-19)24-23-17(25)10-28-14-5-3-13-4-6-18(26)29-16(13)9-14/h3-9,22,27H,10H2,1-2H3/b24-23+
InChIKeyGNUHCRSCGJJYSM-WCWDXBQESA-N
XLogP4.29
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135582389
ethyl N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]carbamate
CID 135557738
2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135883396
N-[1-[(4-bromophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179336
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179335
4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3607032
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
2-methyl-4-(2-oxochromen-7-yl)oxybut-2-enoic acid
CID 162948387
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 4543096

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179326) is N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3ccc4ccc(=O)oc4c3)c2c1.
What is the InChIKey of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is GNUHCRSCGJJYSM-WCWDXBQESA-N. The full InChI is InChI=1S/C21H17N3O5/c1-11-7-12(2)19-15(8-11)20(21(27)22-19)24-23-17(25)10-28-14-5-3-13-4-6-18(26)29-16(13)9-14/h3-9,22,27H,10H2,1-2H3/b24-23+.
What are the key properties of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 391.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).