4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid

C15H18N2O2 — CID 23358101

IUPAC4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
SMILESCCN(C)C1Cc2c[nH]c3ccc(C(=O)O)c(c23)C1
InChIInChI=1S/C15H18N2O2/c1-3-17(2)10-6-9-8-16-13-5-4-11(15(18)19)12(7-10)14(9)13/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyUVEWBKMFEUSDHS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.29
Rot. Bonds3

About 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid

4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid (PubChem CID 23358101) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
PubChem CID23358101
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
SMILESCCN(C)C1Cc2c[nH]c3ccc(C(=O)O)c(c23)C1
InChIInChI=1S/C15H18N2O2/c1-3-17(2)10-6-9-8-16-13-5-4-11(15(18)19)12(7-10)14(9)13/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyUVEWBKMFEUSDHS-UHFFFAOYSA-N
XLogP2.29
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
4-[methyl(propan-2-yl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358087
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
CID 163192742
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
4-(propylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358119
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
propanedioic acid;4-(prop-2-enylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460836
N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 22915279
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid?
The IUPAC name of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid (CID 23358101) is 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid is CCN(C)C1Cc2c[nH]c3ccc(C(=O)O)c(c23)C1.
What is the InChIKey of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid?
The InChIKey is UVEWBKMFEUSDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-17(2)10-6-9-8-16-13-5-4-11(15(18)19)12(7-10)14(9)13/h4-5,8,10,16H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid?
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid is sourced from PubChem (CID 23358101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).