5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one

C16H18N2O — CID 10400090

IUPAC5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one
SMILESNC1(Cc2ccccc2)CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H18N2O/c17-16(11-12-5-2-1-3-6-12)10-4-7-14-13(16)8-9-15(19)18-14/h1-3,5-6,8-9H,4,7,10-11,17H2,(H,18,19)
InChIKeyGVPVCSJUJQHDFL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.11
Rot. Bonds2

About 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one

5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10400090) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one
PubChem CID10400090
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one
SMILESNC1(Cc2ccccc2)CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H18N2O/c17-16(11-12-5-2-1-3-6-12)10-4-7-14-13(16)8-9-15(19)18-14/h1-3,5-6,8-9H,4,7,10-11,17H2,(H,18,19)
InChIKeyGVPVCSJUJQHDFL-UHFFFAOYSA-N
XLogP2.11
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one (CID 10400090) is 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one is NC1(Cc2ccccc2)CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is GVPVCSJUJQHDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-16(11-12-5-2-1-3-6-12)10-4-7-14-13(16)8-9-15(19)18-14/h1-3,5-6,8-9H,4,7,10-11,17H2,(H,18,19).
What are the key properties of 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one?
5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-benzyl-1,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10400090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).