3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide

C23H18N2O4 — CID 135401155

IUPAC3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(O)c(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2c1
InChIInChI=1S/C23H18N2O4/c1-29-17-8-6-15-12-22(27)19(11-16(15)10-17)23(28)25-24-13-20-18-5-3-2-4-14(18)7-9-21(20)26/h2-13,26-27H,1H3,(H,25,28)/b24-13+
InChIKeyDWEDWTTYILNMGD-ZMOGYAJESA-N
MW386.41 g/mol
LogP4.18
Rot. Bonds4

About 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide

3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide (PubChem CID 135401155) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide
PubChem CID135401155
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(O)c(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2c1
InChIInChI=1S/C23H18N2O4/c1-29-17-8-6-15-12-22(27)19(11-16(15)10-17)23(28)25-24-13-20-18-5-3-2-4-14(18)7-9-21(20)26/h2-13,26-27H,1H3,(H,25,28)/b24-13+
InChIKeyDWEDWTTYILNMGD-ZMOGYAJESA-N
XLogP4.18
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide (CID 135401155) is 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide is COc1ccc2cc(O)c(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2c1.
What is the InChIKey of 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide?
The InChIKey is DWEDWTTYILNMGD-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-17-8-6-15-12-22(27)19(11-16(15)10-17)23(28)25-24-13-20-18-5-3-2-4-14(18)7-9-21(20)26/h2-13,26-27H,1H3,(H,25,28)/b24-13+.
What are the key properties of 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide?
3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-7-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 135401155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).