6-(benzylamino)-1-methylbenzo[cd]indol-2-one

C19H16N2O — CID 155548605

IUPAC6-(benzylamino)-1-methylbenzo[cd]indol-2-one
SMILESCN1C(=O)c2cccc3c(NCc4ccccc4)ccc1c23
InChIInChI=1S/C19H16N2O/c1-21-17-11-10-16(20-12-13-6-3-2-4-7-13)14-8-5-9-15(18(14)17)19(21)22/h2-11,20H,12H2,1H3
InChIKeyBPAOUGOHIUSCMJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.04
Rot. Bonds3

About 6-(benzylamino)-1-methylbenzo[cd]indol-2-one

6-(benzylamino)-1-methylbenzo[cd]indol-2-one (PubChem CID 155548605) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(benzylamino)-1-methylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name6-(benzylamino)-1-methylbenzo[cd]indol-2-one
PubChem CID155548605
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name6-(benzylamino)-1-methylbenzo[cd]indol-2-one
SMILESCN1C(=O)c2cccc3c(NCc4ccccc4)ccc1c23
InChIInChI=1S/C19H16N2O/c1-21-17-11-10-16(20-12-13-6-3-2-4-7-13)14-8-5-9-15(18(14)17)19(21)22/h2-11,20H,12H2,1H3
InChIKeyBPAOUGOHIUSCMJ-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-1-methylbenzo[cd]indol-2-one?
The IUPAC name of 6-(benzylamino)-1-methylbenzo[cd]indol-2-one (CID 155548605) is 6-(benzylamino)-1-methylbenzo[cd]indol-2-one.
What is the SMILES notation for 6-(benzylamino)-1-methylbenzo[cd]indol-2-one?
The canonical SMILES for 6-(benzylamino)-1-methylbenzo[cd]indol-2-one is CN1C(=O)c2cccc3c(NCc4ccccc4)ccc1c23.
What is the InChIKey of 6-(benzylamino)-1-methylbenzo[cd]indol-2-one?
The InChIKey is BPAOUGOHIUSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-17-11-10-16(20-12-13-6-3-2-4-7-13)14-8-5-9-15(18(14)17)19(21)22/h2-11,20H,12H2,1H3.
What are the key properties of 6-(benzylamino)-1-methylbenzo[cd]indol-2-one?
6-(benzylamino)-1-methylbenzo[cd]indol-2-one has a molecular weight of 288.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-1-methylbenzo[cd]indol-2-one is sourced from PubChem (CID 155548605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).