3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H20N2O — CID 82522706

IUPAC3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)NCc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C13H20N2O/c1-9(2)14-8-11-7-10-5-3-4-6-12(10)15-13(11)16/h7,9,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyMYMOUIGOYLFNSR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.75
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82522706) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82522706
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)NCc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C13H20N2O/c1-9(2)14-8-11-7-10-5-3-4-6-12(10)15-13(11)16/h7,9,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyMYMOUIGOYLFNSR-UHFFFAOYSA-N
XLogP1.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82522706) is 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)NCc1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is MYMOUIGOYLFNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)14-8-11-7-10-5-3-4-6-12(10)15-13(11)16/h7,9,14H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).