5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H24N2O — CID 103903735

IUPAC5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCC1(CNC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H24N2O/c1-2-8-16(9-10-16)11-17-13-4-3-5-14-12(13)6-7-15(19)18-14/h6-7,13,17H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyBNEHMMSBXXIWBN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.92
Rot. Bonds5

About 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103903735) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103903735
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCC1(CNC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H24N2O/c1-2-8-16(9-10-16)11-17-13-4-3-5-14-12(13)6-7-15(19)18-14/h6-7,13,17H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyBNEHMMSBXXIWBN-UHFFFAOYSA-N
XLogP2.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103903735) is 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCCC1(CNC2CCCc3[nH]c(=O)ccc32)CC1.
What is the InChIKey of 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is BNEHMMSBXXIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-8-16(9-10-16)11-17-13-4-3-5-14-12(13)6-7-15(19)18-14/h6-7,13,17H,2-5,8-11H2,1H3,(H,18,19).
What are the key properties of 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103903735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).