methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate

C23H19NO3 — CID 102334359

IUPACmethyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)c3ccccc23)cc2ccccc2c1N
InChIInChI=1S/C23H19NO3/c1-26-20-12-11-17(16-9-5-6-10-18(16)20)19-13-14-7-3-4-8-15(14)22(24)21(19)23(25)27-2/h3-13H,24H2,1-2H3
InChIKeyFWKMFSQUXQDDDD-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.04
Rot. Bonds3

About methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate

methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate (PubChem CID 102334359) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate
PubChem CID102334359
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Namemethyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)c3ccccc23)cc2ccccc2c1N
InChIInChI=1S/C23H19NO3/c1-26-20-12-11-17(16-9-5-6-10-18(16)20)19-13-14-7-3-4-8-15(14)22(24)21(19)23(25)27-2/h3-13H,24H2,1-2H3
InChIKeyFWKMFSQUXQDDDD-UHFFFAOYSA-N
XLogP5.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate
CID 11823800
1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580
1-methoxyanthracen-9-amine
CID 23131408
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
methyl 3-cyano-2-methoxynaphthalene-1-carboxylate
CID 11746770
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate?
The IUPAC name of methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate (CID 102334359) is methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate is COC(=O)c1c(-c2ccc(OC)c3ccccc23)cc2ccccc2c1N.
What is the InChIKey of methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate?
The InChIKey is FWKMFSQUXQDDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-20-12-11-17(16-9-5-6-10-18(16)20)19-13-14-7-3-4-8-15(14)22(24)21(19)23(25)27-2/h3-13H,24H2,1-2H3.
What are the key properties of methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate?
methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 102334359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).