1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one

C20H18N2O — CID 155547980

IUPAC1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one
SMILESCC(Nc1ccc2c3c(cccc13)C(=O)N2C)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-13(14-7-4-3-5-8-14)21-17-11-12-18-19-15(17)9-6-10-16(19)20(23)22(18)2/h3-13,21H,1-2H3
InChIKeyXGESYOSGXBSPIX-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.60
Rot. Bonds3

About 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one

1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one (PubChem CID 155547980) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one
PubChem CID155547980
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one
SMILESCC(Nc1ccc2c3c(cccc13)C(=O)N2C)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-13(14-7-4-3-5-8-14)21-17-11-12-18-19-15(17)9-6-10-16(19)20(23)22(18)2/h3-13,21H,1-2H3
InChIKeyXGESYOSGXBSPIX-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
Grl-0617
CID 24941262
benz(cd)indol-2(1H)-one
CID 67222
DR-4004
CID 9843179
3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329880
1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
1-(3-ethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329891
1-(3,4-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329895
1-(3,5-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329896
3-[3-fluoro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one?
The IUPAC name of 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one (CID 155547980) is 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one.
What is the SMILES notation for 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one?
The canonical SMILES for 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one is CC(Nc1ccc2c3c(cccc13)C(=O)N2C)c1ccccc1.
What is the InChIKey of 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one?
The InChIKey is XGESYOSGXBSPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13(14-7-4-3-5-8-14)21-17-11-12-18-19-15(17)9-6-10-16(19)20(23)22(18)2/h3-13,21H,1-2H3.
What are the key properties of 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one?
1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one has a molecular weight of 302.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1-phenylethylamino)benzo[cd]indol-2-one is sourced from PubChem (CID 155547980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).