4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid

C14H18N2O3 — CID 172696431

IUPAC4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1cc(N(C)C)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C14H18N2O3/c1-8(2)19-9-5-11-10(13(6-9)16(3)4)7-12(15-11)14(17)18/h5-8,15H,1-4H3,(H,17,18)
InChIKeyCJOIMGPZQLPBDM-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.72
Rot. Bonds4

About 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid

4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid (PubChem CID 172696431) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid
PubChem CID172696431
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1cc(N(C)C)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C14H18N2O3/c1-8(2)19-9-5-11-10(13(6-9)16(3)4)7-12(15-11)14(17)18/h5-8,15H,1-4H3,(H,17,18)
InChIKeyCJOIMGPZQLPBDM-UHFFFAOYSA-N
XLogP2.72
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid (CID 172696431) is 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid is CC(C)Oc1cc(N(C)C)c2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
The InChIKey is CJOIMGPZQLPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)19-9-5-11-10(13(6-9)16(3)4)7-12(15-11)14(17)18/h5-8,15H,1-4H3,(H,17,18).
What are the key properties of 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 172696431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).