4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid

C19H15NO3 — CID 825845

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15NO3/c1-12-10-14(19(22)23)6-8-17(12)20-11-16-15-5-3-2-4-13(15)7-9-18(16)21/h2-11,21H,1H3,(H,22,23)/b20-11+
InChIKeyHCGGUBXKKWXERU-RGVLZGJSSA-N
MW305.33 g/mol
LogP4.30
Rot. Bonds3

About 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid (PubChem CID 825845) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid
PubChem CID825845
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15NO3/c1-12-10-14(19(22)23)6-8-17(12)20-11-16-15-5-3-2-4-13(15)7-9-18(16)21/h2-11,21H,1H3,(H,22,23)/b20-11+
InChIKeyHCGGUBXKKWXERU-RGVLZGJSSA-N
XLogP4.30
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid (CID 825845) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid?
The InChIKey is HCGGUBXKKWXERU-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12-10-14(19(22)23)6-8-17(12)20-11-16-15-5-3-2-4-13(15)7-9-18(16)21/h2-11,21H,1H3,(H,22,23)/b20-11+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid?
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid has a molecular weight of 305.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbenzoic acid is sourced from PubChem (CID 825845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).