(3-aminophenyl) naphthalene-2-carboxylate

C17H13NO2 — CID 22761549

IUPAC(3-aminophenyl) naphthalene-2-carboxylate
SMILESNc1cccc(OC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H13NO2/c18-15-6-3-7-16(11-15)20-17(19)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,18H2
InChIKeyWIISSRNXWJEPQC-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.64
Rot. Bonds2

About (3-aminophenyl) naphthalene-2-carboxylate

(3-aminophenyl) naphthalene-2-carboxylate (PubChem CID 22761549) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3-aminophenyl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(3-aminophenyl) naphthalene-2-carboxylate
PubChem CID22761549
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(3-aminophenyl) naphthalene-2-carboxylate
SMILESNc1cccc(OC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H13NO2/c18-15-6-3-7-16(11-15)20-17(19)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,18H2
InChIKeyWIISSRNXWJEPQC-UHFFFAOYSA-N
XLogP3.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-aminophenyl) naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
bis(3-aminophenyl) benzene-1,2-dicarboxylate
CID 140718881
2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
CID 46307596
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
phenyl 3,4-diaminobenzoate
CID 22184045
phenyl 6-(2-naphthalen-2-ylethynyl)naphthalene-2-carboxylate
CID 20724491
(3,4,5-trifluorophenyl) naphthalene-2-carboxylate
CID 151781841
[9-[3,6-bis(naphthalene-2-carbonyloxy)-9H-xanthen-9-yl]-6-(naphthalene-2-carbonyloxy)-9H-xanthen-3-yl] naphthalene-2-carboxylate
CID 139854828
naphthalen-2-yl 4-methoxybenzoate
CID 532400
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl) naphthalene-2-carboxylate?
The IUPAC name of (3-aminophenyl) naphthalene-2-carboxylate (CID 22761549) is (3-aminophenyl) naphthalene-2-carboxylate.
What is the SMILES notation for (3-aminophenyl) naphthalene-2-carboxylate?
The canonical SMILES for (3-aminophenyl) naphthalene-2-carboxylate is Nc1cccc(OC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of (3-aminophenyl) naphthalene-2-carboxylate?
The InChIKey is WIISSRNXWJEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c18-15-6-3-7-16(11-15)20-17(19)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,18H2.
What are the key properties of (3-aminophenyl) naphthalene-2-carboxylate?
(3-aminophenyl) naphthalene-2-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl) naphthalene-2-carboxylate is sourced from PubChem (CID 22761549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).