8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid

C19H15NO2 — CID 10755862

IUPAC8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid
SMILESCc1cccc(/N=C/c2cccc3cccc(C(=O)O)c23)c1
InChIInChI=1S/C19H15NO2/c1-13-5-2-9-16(11-13)20-12-15-8-3-6-14-7-4-10-17(18(14)15)19(21)22/h2-12H,1H3,(H,21,22)/b20-12+
InChIKeyGWLDLEASPQSVJL-UDWIEESQSA-N
MW289.33 g/mol
LogP4.60
Rot. Bonds3

About 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid

8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid (PubChem CID 10755862) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid
PubChem CID10755862
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid
SMILESCc1cccc(/N=C/c2cccc3cccc(C(=O)O)c23)c1
InChIInChI=1S/C19H15NO2/c1-13-5-2-9-16(11-13)20-12-15-8-3-6-14-7-4-10-17(18(14)15)19(21)22/h2-12H,1H3,(H,21,22)/b20-12+
InChIKeyGWLDLEASPQSVJL-UDWIEESQSA-N
XLogP4.60
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10733705
8-[[4-[4-[(8-carboxynaphthalen-1-yl)methylideneamino]phenyl]phenyl]iminomethyl]naphthalene-1-carboxylic acid
CID 171983062
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
CID 173347602
(2S)-2-[2-methoxy-6-[(3-methylphenyl)iminomethyl]phenoxy]propanoic acid
CID 126247853
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one
CID 931634
[2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate
CID 4152133
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
2-(3-methylbenzoyl)benzoic acid
CID 2801746

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid?
The IUPAC name of 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid (CID 10755862) is 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid is Cc1cccc(/N=C/c2cccc3cccc(C(=O)O)c23)c1.
What is the InChIKey of 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid?
The InChIKey is GWLDLEASPQSVJL-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13-5-2-9-16(11-13)20-12-15-8-3-6-14-7-4-10-17(18(14)15)19(21)22/h2-12H,1H3,(H,21,22)/b20-12+.
What are the key properties of 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid?
8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 10755862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).