methyl 10-amino-6-methoxyphenanthrene-9-carboxylate

C17H15NO3 — CID 101485605

IUPACmethyl 10-amino-6-methoxyphenanthrene-9-carboxylate
SMILESCOC(=O)c1c(N)c2ccccc2c2cc(OC)ccc12
InChIInChI=1S/C17H15NO3/c1-20-10-7-8-12-14(9-10)11-5-3-4-6-13(11)16(18)15(12)17(19)21-2/h3-9H,18H2,1-2H3
InChIKeyNKPMELHTNBZYNM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.37
Rot. Bonds2

About methyl 10-amino-6-methoxyphenanthrene-9-carboxylate

methyl 10-amino-6-methoxyphenanthrene-9-carboxylate (PubChem CID 101485605) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 10-amino-6-methoxyphenanthrene-9-carboxylate.

Molecular Properties

Compound Namemethyl 10-amino-6-methoxyphenanthrene-9-carboxylate
PubChem CID101485605
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 10-amino-6-methoxyphenanthrene-9-carboxylate
SMILESCOC(=O)c1c(N)c2ccccc2c2cc(OC)ccc12
InChIInChI=1S/C17H15NO3/c1-20-10-7-8-12-14(9-10)11-5-3-4-6-13(11)16(18)15(12)17(19)21-2/h3-9H,18H2,1-2H3
InChIKeyNKPMELHTNBZYNM-UHFFFAOYSA-N
XLogP3.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze methyl 10-amino-6-methoxyphenanthrene-9-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

beta-NAPHTHYL ANTHRANILATE
CID 62217
2-(3-(6-Methoxynaphthalen-2-yl)propanamido)benzoic acid
CID 11501164
Anthraquinone, 1-amino-2-methoxy-
CID 25021
ethyl 8-methoxy-1-oxo-4H-benzo[f]quinoline-3-carboxylate
CID 307147
[4-Amino-3-(4-methoxybenzoyl)-2,5,6-triphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924399
[4-Amino-3-benzoyl-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-phenylmethanone
CID 134924403
[4-Amino-3-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924490
3-Amino-6-benzyloxy-7-methoxynaphthalene-2-carboxylic acid tert-butyl ester
CID 10156578
5-Amino-6-(p-methoxybenzoyl)-naphthalene
CID 67495113
Phenyl 1-aminoanthraquinone-2-carboxylate
CID 2835177
Methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate
CID 59569192
Methyl 4-amino-4'-(trifluoromethoxy)biphenyl-3-carboxylate
CID 67488107

Frequently Asked Questions

What is the IUPAC name of methyl 10-amino-6-methoxyphenanthrene-9-carboxylate?
The IUPAC name of methyl 10-amino-6-methoxyphenanthrene-9-carboxylate (CID 101485605) is methyl 10-amino-6-methoxyphenanthrene-9-carboxylate.
What is the SMILES notation for methyl 10-amino-6-methoxyphenanthrene-9-carboxylate?
The canonical SMILES for methyl 10-amino-6-methoxyphenanthrene-9-carboxylate is COC(=O)c1c(N)c2ccccc2c2cc(OC)ccc12.
What is the InChIKey of methyl 10-amino-6-methoxyphenanthrene-9-carboxylate?
The InChIKey is NKPMELHTNBZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-10-7-8-12-14(9-10)11-5-3-4-6-13(11)16(18)15(12)17(19)21-2/h3-9H,18H2,1-2H3.
What are the key properties of methyl 10-amino-6-methoxyphenanthrene-9-carboxylate?
methyl 10-amino-6-methoxyphenanthrene-9-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-amino-6-methoxyphenanthrene-9-carboxylate is sourced from PubChem (CID 101485605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).