N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide

C19H19N3O5 — CID 135651324

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)N/N=C/c3ccccc3O)cc2c(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-16-9-13-12(17(26-2)18(16)27-3)8-14(21-13)19(24)22-20-10-11-6-4-5-7-15(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+
InChIKeyMYDNWELMEUKHAH-KEBDBYFISA-N
MW369.38 g/mol
LogP2.66
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide (PubChem CID 135651324) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
PubChem CID135651324
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)N/N=C/c3ccccc3O)cc2c(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-16-9-13-12(17(26-2)18(16)27-3)8-14(21-13)19(24)22-20-10-11-6-4-5-7-15(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+
InChIKeyMYDNWELMEUKHAH-KEBDBYFISA-N
XLogP2.66
TPSA105.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide
CID 2026239
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 6878850
N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 2018531
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
4,5-dibromo-N-[(2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 152771822
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 136792678
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide
CID 6879756
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137014970
2-(2-hydroxyphenyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781271
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide (CID 135651324) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide is COc1cc2[nH]c(C(=O)N/N=C/c3ccccc3O)cc2c(OC)c1OC.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is MYDNWELMEUKHAH-KEBDBYFISA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-16-9-13-12(17(26-2)18(16)27-3)8-14(21-13)19(24)22-20-10-11-6-4-5-7-15(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 135651324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).