[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate

C24H28N2O2 — CID 19828707

IUPAC[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
SMILESCCCN(CCC)C1Cc2c[nH]c3ccc(OC(=O)c4ccccc4)c(c23)C1
InChIInChI=1S/C24H28N2O2/c1-3-12-26(13-4-2)19-14-18-16-25-21-10-11-22(20(15-19)23(18)21)28-24(27)17-8-6-5-7-9-17/h5-11,16,19,25H,3-4,12-15H2,1-2H3
InChIKeyRDQNKPJOSNHPDY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.98
Rot. Bonds7

About [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate

[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate (PubChem CID 19828707) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate.

Molecular Properties

Compound Name[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
PubChem CID19828707
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
SMILESCCCN(CCC)C1Cc2c[nH]c3ccc(OC(=O)c4ccccc4)c(c23)C1
InChIInChI=1S/C24H28N2O2/c1-3-12-26(13-4-2)19-14-18-16-25-21-10-11-22(20(15-19)23(18)21)28-24(27)17-8-6-5-7-9-17/h5-11,16,19,25H,3-4,12-15H2,1-2H3
InChIKeyRDQNKPJOSNHPDY-UHFFFAOYSA-N
XLogP4.98
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate with MolForge

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Related Compounds

N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
CID 15622235
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid
CID 13356525
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
CID 23358101
1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
CID 19041535
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] benzoate
CID 118668198
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
2-(4-benzoyloxy-1H-indol-3-yl)acetic acid
CID 14185779

Frequently Asked Questions

What is the IUPAC name of [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate?
The IUPAC name of [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate (CID 19828707) is [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate.
What is the SMILES notation for [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate?
The canonical SMILES for [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate is CCCN(CCC)C1Cc2c[nH]c3ccc(OC(=O)c4ccccc4)c(c23)C1.
What is the InChIKey of [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate?
The InChIKey is RDQNKPJOSNHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-12-26(13-4-2)19-14-18-16-25-21-10-11-22(20(15-19)23(18)21)28-24(27)17-8-6-5-7-9-17/h5-11,16,19,25H,3-4,12-15H2,1-2H3.
What are the key properties of [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate?
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate has a molecular weight of 376.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate is sourced from PubChem (CID 19828707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).