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

C12H18N2O — CID 118744521

IUPAC6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)NC1CCc2[nH]c(=O)ccc2C1
InChIInChI=1S/C12H18N2O/c1-8(2)13-10-4-5-11-9(7-10)3-6-12(15)14-11/h3,6,8,10,13H,4-5,7H2,1-2H3,(H,14,15)
InChIKeyPNGZMYLFBYXLCF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds2

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

6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 118744521) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID118744521
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)NC1CCc2[nH]c(=O)ccc2C1
InChIInChI=1S/C12H18N2O/c1-8(2)13-10-4-5-11-9(7-10)3-6-12(15)14-11/h3,6,8,10,13H,4-5,7H2,1-2H3,(H,14,15)
InChIKeyPNGZMYLFBYXLCF-UHFFFAOYSA-N
XLogP1.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(s,s)-(-)-n,n'-Di-5'-[5',6',7',8'-tetrahydro-2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride
CID 445974
(s,s)-(-)-n,n'-Di-5'-[5',6',7',8'-tetrahydro-2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride
CID 445975
1,2,5,6,7,8-Hexahydroquinolin-2-one
CID 264106
5-Amino-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 9989805
5-amino-1,5-dimethyl-7,8-dihydro-6H-quinolin-2-one
CID 10397713
5-Amino-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10263358
5-amino-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 5148061
5-(Butylamino)-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 10656568
5-Amino-1-methyl-1,2,5,6,7,8-hexahydroquinolin-2-one
CID 81105195
5-(3,3-Dimethyl-butylamino)-1-propyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 9971488
5-Amino-6-ethylidene-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 44342223
6-Amino-1-ethyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 84618285

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 118744521) is 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)NC1CCc2[nH]c(=O)ccc2C1.
What is the InChIKey of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PNGZMYLFBYXLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)13-10-4-5-11-9(7-10)3-6-12(15)14-11/h3,6,8,10,13H,4-5,7H2,1-2H3,(H,14,15).
What are the key properties of 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 118744521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).