1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one

C20H17ClN2OS — CID 9172146

IUPAC1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one
SMILESC=CCN(Cc1ccc(Cl)s1)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H17ClN2OS/c1-2-11-22(12-15-9-10-18(21)25-15)13-23-17-8-4-6-14-5-3-7-16(19(14)17)20(23)24/h2-10H,1,11-13H2
InChIKeySENJKAIKFAUNPQ-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.16
Rot. Bonds6

About 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one

1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one (PubChem CID 9172146) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one
PubChem CID9172146
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one
SMILESC=CCN(Cc1ccc(Cl)s1)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H17ClN2OS/c1-2-11-22(12-15-9-10-18(21)25-15)13-23-17-8-4-6-14-5-3-7-16(19(14)17)20(23)24/h2-10H,1,11-13H2
InChIKeySENJKAIKFAUNPQ-UHFFFAOYSA-N
XLogP5.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31281610
2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 71685527
(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31818101
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]isoindole-1,3-dione
CID 8787066
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
CID 28793599
4-amino-2-[(5-chlorothiophen-2-yl)methyl]isoindole-1,3-dione
CID 18072803
1-[[(3-fluorophenyl)methyl-methylamino]methyl]benzo[cd]indol-2-one
CID 9170413
1-[2-(4-chlorophenyl)-2-hydroxyethyl]benzo[cd]indol-2-one
CID 47025328

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one (CID 9172146) is 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one is C=CCN(Cc1ccc(Cl)s1)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one?
The InChIKey is SENJKAIKFAUNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c1-2-11-22(12-15-9-10-18(21)25-15)13-23-17-8-4-6-14-5-3-7-16(19(14)17)20(23)24/h2-10H,1,11-13H2.
What are the key properties of 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one?
1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one has a molecular weight of 368.89 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 9172146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).