4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

C18H18N2O — CID 66827792

IUPAC4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESNc1ccc(C2CC(=O)Nc3cc4c(cc32)CCC4)cc1
InChIInChI=1S/C18H18N2O/c19-14-6-4-11(5-7-14)15-10-18(21)20-17-9-13-3-1-2-12(13)8-16(15)17/h4-9,15H,1-3,10,19H2,(H,20,21)
InChIKeyLZEFZYXVBSQOOQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.23
Rot. Bonds1

About 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (PubChem CID 66827792) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
PubChem CID66827792
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESNc1ccc(C2CC(=O)Nc3cc4c(cc32)CCC4)cc1
InChIInChI=1S/C18H18N2O/c19-14-6-4-11(5-7-14)15-10-18(21)20-17-9-13-3-1-2-12(13)8-16(15)17/h4-9,15H,1-3,10,19H2,(H,20,21)
InChIKeyLZEFZYXVBSQOOQ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (CID 66827792) is 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is Nc1ccc(C2CC(=O)Nc3cc4c(cc32)CCC4)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The InChIKey is LZEFZYXVBSQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-14-6-4-11(5-7-14)15-10-18(21)20-17-9-13-3-1-2-12(13)8-16(15)17/h4-9,15H,1-3,10,19H2,(H,20,21).
What are the key properties of 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 66827792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).