benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium

C20H19N2O+ — CID 9169350

IUPACbenzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
SMILESC[NH+](Cc1ccccc1)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H18N2O/c1-21(13-15-7-3-2-4-8-15)14-22-18-12-6-10-16-9-5-11-17(19(16)18)20(22)23/h2-12H,13-14H2,1H3/p+1
InChIKeyAVURMAHQLPNVJB-UHFFFAOYSA-O
MW303.39 g/mol
LogP2.47
Rot. Bonds4

About benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium

benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium (PubChem CID 9169350) has the molecular formula C20H19N2O+ and a molecular weight of 303.39 g/mol. Its IUPAC name is benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium.

Molecular Properties

Compound Namebenzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
PubChem CID9169350
Molecular FormulaC20H19N2O+
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC Namebenzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
SMILESC[NH+](Cc1ccccc1)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H18N2O/c1-21(13-15-7-3-2-4-8-15)14-22-18-12-6-10-16-9-5-11-17(19(16)18)20(22)23/h2-12H,13-14H2,1H3/p+1
InChIKeyAVURMAHQLPNVJB-UHFFFAOYSA-O
XLogP2.47
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 7911038
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
CID 65491106
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
CID 28793599
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758
1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
CID 15023400
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium?
The IUPAC name of benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium (CID 9169350) is benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium.
What is the SMILES notation for benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium?
The canonical SMILES for benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium is C[NH+](Cc1ccccc1)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium?
The InChIKey is AVURMAHQLPNVJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N2O/c1-21(13-15-7-3-2-4-8-15)14-22-18-12-6-10-16-9-5-11-17(19(16)18)20(22)23/h2-12H,13-14H2,1H3/p+1.
What are the key properties of benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium?
benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium has a molecular weight of 303.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium is sourced from PubChem (CID 9169350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).