3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid

C21H18N2O2 — CID 171034152

IUPAC3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H18N2O2/c24-21(25)18-11-14-5-1-2-6-15(14)12-20(18)22-10-9-16-13-23-19-8-4-3-7-17(16)19/h1-8,11-13,22-23H,9-10H2,(H,24,25)
InChIKeyLEZMCARWDHJHGN-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.67
Rot. Bonds5

About 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid

3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid (PubChem CID 171034152) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid
PubChem CID171034152
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H18N2O2/c24-21(25)18-11-14-5-1-2-6-15(14)12-20(18)22-10-9-16-13-23-19-8-4-3-7-17(16)19/h1-8,11-13,22-23H,9-10H2,(H,24,25)
InChIKeyLEZMCARWDHJHGN-UHFFFAOYSA-N
XLogP4.67
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-5-methylbenzoic acid
CID 170655465
4-amino-2-[2-(1H-indol-3-yl)ethylamino]-5-nitrobenzoic acid
CID 170655504
5-ethylsulfanyl-2-[2-(1H-indol-3-yl)ethylamino]benzoic acid
CID 170655458
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
2-[[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194862
2-[2-(1H-indol-3-yl)ethylamino]-6-(trifluoromethyl)benzoic acid
CID 170655480
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-[2-(7-hydroxy-1H-indol-3-yl)ethylamino]-5-(trifluoromethyl)benzoic acid
CID 171034141
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid (CID 171034152) is 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid?
The InChIKey is LEZMCARWDHJHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(25)18-11-14-5-1-2-6-15(14)12-20(18)22-10-9-16-13-23-19-8-4-3-7-17(16)19/h1-8,11-13,22-23H,9-10H2,(H,24,25).
What are the key properties of 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid?
3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 171034152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).