5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one

C16H24N2O2 — CID 116522653

IUPAC5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC1(C)CCC(Cn2c3c(ccc2=O)C(N)CCC3)O1
InChIInChI=1S/C16H24N2O2/c1-16(2)9-8-11(20-16)10-18-14-5-3-4-13(17)12(14)6-7-15(18)19/h6-7,11,13H,3-5,8-10,17H2,1-2H3
InChIKeyPRIHXJFAHRAJEQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.14
Rot. Bonds2

About 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 116522653) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID116522653
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC1(C)CCC(Cn2c3c(ccc2=O)C(N)CCC3)O1
InChIInChI=1S/C16H24N2O2/c1-16(2)9-8-11(20-16)10-18-14-5-3-4-13(17)12(14)6-7-15(18)19/h6-7,11,13H,3-5,8-10,17H2,1-2H3
InChIKeyPRIHXJFAHRAJEQ-UHFFFAOYSA-N
XLogP2.14
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

1-(2-Methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 131661197
N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide
CID 154145381
4-[2-(Cyclohexen-1-yl)ethylamino]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 16448553
2-hydroxy-N-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054953
2-hydroxy-6-methyl-N-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51055039
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322856
2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322857
(6R)-6-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322928
(6S)-6-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322929
(6R)-6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322930
(6S)-6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 52322931
5-Amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104141

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 116522653) is 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one is CC1(C)CCC(Cn2c3c(ccc2=O)C(N)CCC3)O1.
What is the InChIKey of 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is PRIHXJFAHRAJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)9-8-11(20-16)10-18-14-5-3-4-13(17)12(14)6-7-15(18)19/h6-7,11,13H,3-5,8-10,17H2,1-2H3.
What are the key properties of 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 116522653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).