3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid

C22H17NO3 — CID 11810055

IUPAC3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESCNc1ccc2ccccc2c1-c1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C22H17NO3/c1-23-18-11-10-13-6-2-4-8-15(13)19(18)20-16-9-5-3-7-14(16)12-17(21(20)24)22(25)26/h2-12,23-24H,1H3,(H,25,26)
InChIKeyQQCNUTFYDFBYSG-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.11
Rot. Bonds3

About 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid

3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid (PubChem CID 11810055) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
PubChem CID11810055
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESCNc1ccc2ccccc2c1-c1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C22H17NO3/c1-23-18-11-10-13-6-2-4-8-15(13)19(18)20-16-9-5-3-7-14(16)12-17(21(20)24)22(25)26/h2-12,23-24H,1H3,(H,25,26)
InChIKeyQQCNUTFYDFBYSG-UHFFFAOYSA-N
XLogP5.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-hydroxybenzoic acid
CID 68631677
[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
CID 18720381

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid (CID 11810055) is 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid is CNc1ccc2ccccc2c1-c1c(O)c(C(=O)O)cc2ccccc12.
What is the InChIKey of 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
The InChIKey is QQCNUTFYDFBYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-23-18-11-10-13-6-2-4-8-15(13)19(18)20-16-9-5-3-7-14(16)12-17(21(20)24)22(25)26/h2-12,23-24H,1H3,(H,25,26).
What are the key properties of 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 5.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 11810055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).