3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one

C22H19NO2 — CID 22153245

IUPAC3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one
SMILESCOc1cccc(C2=C(N)CC(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C22H19NO2/c1-25-16-9-4-8-15(12-16)21-20(23)13-19(22(21)24)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,19H,13,23H2,1H3
InChIKeyKKSVAXXAQFXIBV-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.27
Rot. Bonds3

About 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one

3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one (PubChem CID 22153245) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one
PubChem CID22153245
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one
SMILESCOc1cccc(C2=C(N)CC(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C22H19NO2/c1-25-16-9-4-8-15(12-16)21-20(23)13-19(22(21)24)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,19H,13,23H2,1H3
InChIKeyKKSVAXXAQFXIBV-UHFFFAOYSA-N
XLogP4.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine
CID 70441897
2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one
CID 22153096
3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153157
3-amino-2-[3-(difluoromethoxy)phenyl]-5-methylcyclopent-2-en-1-one
CID 22153100
4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108677159
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
3-(3-methoxyphenyl)-1-methylnaphthalene
CID 59399504
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
(3S,3aS,6aR)-5-(3-methoxyphenyl)-3-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 100880955
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one?
The IUPAC name of 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one (CID 22153245) is 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one is COc1cccc(C2=C(N)CC(c3cccc4ccccc34)C2=O)c1.
What is the InChIKey of 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one?
The InChIKey is KKSVAXXAQFXIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-16-9-4-8-15(12-16)21-20(23)13-19(22(21)24)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,19H,13,23H2,1H3.
What are the key properties of 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one?
3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one has a molecular weight of 329.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 22153245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).