7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one

C22H24N2O — CID 166798688

IUPAC7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one
SMILESNC1CCC2=CCCC(=O)N2C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H24N2O/c23-20-13-12-19-10-5-11-22(25)24(19)21(20)15-16-6-4-9-18(14-16)17-7-2-1-3-8-17/h1-4,6-10,14,20-21H,5,11-13,15,23H2
InChIKeyUGRKLQCWVZXWQS-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.89
Rot. Bonds3

About 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one

7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one (PubChem CID 166798688) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one
PubChem CID166798688
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one
SMILESNC1CCC2=CCCC(=O)N2C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H24N2O/c23-20-13-12-19-10-5-11-22(25)24(19)21(20)15-16-6-4-9-18(14-16)17-7-2-1-3-8-17/h1-4,6-10,14,20-21H,5,11-13,15,23H2
InChIKeyUGRKLQCWVZXWQS-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one?
The IUPAC name of 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one (CID 166798688) is 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one.
What is the SMILES notation for 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one?
The canonical SMILES for 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one is NC1CCC2=CCCC(=O)N2C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one?
The InChIKey is UGRKLQCWVZXWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c23-20-13-12-19-10-5-11-22(25)24(19)21(20)15-16-6-4-9-18(14-16)17-7-2-1-3-8-17/h1-4,6-10,14,20-21H,5,11-13,15,23H2.
What are the key properties of 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one?
7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one has a molecular weight of 332.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one is sourced from PubChem (CID 166798688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).