methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate

C22H17NO3 — CID 10427547

IUPACmethyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(N)ccc3ccccc23)c1O
InChIInChI=1S/C22H17NO3/c1-26-22(25)17-12-14-7-3-5-9-16(14)20(21(17)24)19-15-8-4-2-6-13(15)10-11-18(19)23/h2-12,24H,23H2,1H3
InChIKeyYFCNIWVKAKQJJX-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.73
Rot. Bonds2

About methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate

methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate (PubChem CID 10427547) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
PubChem CID10427547
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Namemethyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(N)ccc3ccccc23)c1O
InChIInChI=1S/C22H17NO3/c1-26-22(25)17-12-14-7-3-5-9-16(14)20(21(17)24)19-15-8-4-2-6-13(15)10-11-18(19)23/h2-12,24H,23H2,1H3
InChIKeyYFCNIWVKAKQJJX-UHFFFAOYSA-N
XLogP4.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
methyl 3-hydroxy-4-iodonaphthalene-2-carboxylate
CID 139922575
tert-butyl 3-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-1-yl]naphthalene-2-carboxylate
CID 100966328
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
CID 177253516

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate (CID 10427547) is methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate is COC(=O)c1cc2ccccc2c(-c2c(N)ccc3ccccc23)c1O.
What is the InChIKey of methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate?
The InChIKey is YFCNIWVKAKQJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-26-22(25)17-12-14-7-3-5-9-16(14)20(21(17)24)19-15-8-4-2-6-13(15)10-11-18(19)23/h2-12,24H,23H2,1H3.
What are the key properties of methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate?
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 10427547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).