methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate

C13H11Cl2NO2 — CID 71283288

IUPACmethyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate
SMILESCNc1cc(C(=O)OC)cc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C13H11Cl2NO2/c1-16-11-5-8(13(17)18-2)3-7-4-9(14)6-10(15)12(7)11/h3-6,16H,1-2H3
InChIKeyWCXSHGYAZLTZRD-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.97
Rot. Bonds2

About methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate

methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate (PubChem CID 71283288) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate
PubChem CID71283288
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Namemethyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate
SMILESCNc1cc(C(=O)OC)cc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C13H11Cl2NO2/c1-16-11-5-8(13(17)18-2)3-7-4-9(14)6-10(15)12(7)11/h3-6,16H,1-2H3
InChIKeyWCXSHGYAZLTZRD-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5,7-dichloro-4-(methylamino)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

methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate
CID 71283497
methyl 5,7-dichloro-4-[[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]amino]naphthalene-2-carboxylate
CID 71283621
methyl 3,4-dihydroxy-5-(methylamino)benzoate
CID 130016117
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 3-acetyl-5-chlorobenzoate
CID 69166843
methyl 5,7-dichloro-4-[2-[3-(hydroxymethyl)anilino]-2-oxoethoxy]naphthalene-2-carboxylate
CID 67479446
methyl 4,5-dichloro-2-(methylamino)benzoate
CID 156642662
(2-chloro-5-methoxycarbonylphenyl)-hydroxyazanium
CID 144877713
methyl 3-chloro-5-(2-chloropropanoyl)benzoate
CID 134648935
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate
CID 67733952

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate?
The IUPAC name of methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate (CID 71283288) is methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate?
The canonical SMILES for methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate is CNc1cc(C(=O)OC)cc2cc(Cl)cc(Cl)c12.
What is the InChIKey of methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate?
The InChIKey is WCXSHGYAZLTZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-16-11-5-8(13(17)18-2)3-7-4-9(14)6-10(15)12(7)11/h3-6,16H,1-2H3.
What are the key properties of methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate?
methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate has a molecular weight of 284.14 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate is sourced from PubChem (CID 71283288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).