3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide

C27H21N3O3 — CID 135804216

IUPAC3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2cc(OCc3ccccc3)ccc12)c1cc2ccccc2cc1O
InChIInChI=1S/C27H21N3O3/c31-26-13-20-9-5-4-8-19(20)12-24(26)27(32)30-29-16-21-15-28-25-14-22(10-11-23(21)25)33-17-18-6-2-1-3-7-18/h1-16,28,31H,17H2,(H,30,32)/b29-16+
InChIKeyUUSZGTHXDVHHDJ-MUFRIFMGSA-N
MW435.48 g/mol
LogP5.37
Rot. Bonds6

About 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 135804216) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID135804216
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2cc(OCc3ccccc3)ccc12)c1cc2ccccc2cc1O
InChIInChI=1S/C27H21N3O3/c31-26-13-20-9-5-4-8-19(20)12-24(26)27(32)30-29-16-21-15-28-25-14-22(10-11-23(21)25)33-17-18-6-2-1-3-7-18/h1-16,28,31H,17H2,(H,30,32)/b29-16+
InChIKeyUUSZGTHXDVHHDJ-MUFRIFMGSA-N
XLogP5.37
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', '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

4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
CID 135414083
3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135804227
2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 136705009
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
3-iodo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069759
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide (CID 135804216) is 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1c[nH]c2cc(OCc3ccccc3)ccc12)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is UUSZGTHXDVHHDJ-MUFRIFMGSA-N. The full InChI is InChI=1S/C27H21N3O3/c31-26-13-20-9-5-4-8-19(20)12-24(26)27(32)30-29-16-21-15-28-25-14-22(10-11-23(21)25)33-17-18-6-2-1-3-7-18/h1-16,28,31H,17H2,(H,30,32)/b29-16+.
What are the key properties of 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 5.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 135804216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).