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

C16H24N2O2 — CID 115358998

IUPAC5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC1(CO)CCCC1
InChIInChI=1S/C16H24N2O2/c19-11-16(8-1-2-9-16)10-17-13-4-3-5-14-12(13)6-7-15(20)18-14/h6-7,13,17,19H,1-5,8-11H2,(H,18,20)
InChIKeyDLUYVZPERXRRSL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds4

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

5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 115358998) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID115358998
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC1(CO)CCCC1
InChIInChI=1S/C16H24N2O2/c19-11-16(8-1-2-9-16)10-17-13-4-3-5-14-12(13)6-7-15(20)18-14/h6-7,13,17,19H,1-5,8-11H2,(H,18,20)
InChIKeyDLUYVZPERXRRSL-UHFFFAOYSA-N
XLogP1.89
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903735
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903395
5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108912
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107715
5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 104705788
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103965960
5-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103788075
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 115358998) is 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCC1(CO)CCCC1.
What is the InChIKey of 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is DLUYVZPERXRRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-11-16(8-1-2-9-16)10-17-13-4-3-5-14-12(13)6-7-15(20)18-14/h6-7,13,17,19H,1-5,8-11H2,(H,18,20).
What are the key properties of 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 115358998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).