3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H19NO — CID 82112815

IUPAC3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cc2c([nH]c1=O)CCC(C(C)C)C2
InChIInChI=1S/C13H19NO/c1-8(2)10-4-5-12-11(7-10)6-9(3)13(15)14-12/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyHXLBNQTWLGBKRK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.44
Rot. Bonds1

About 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82112815) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82112815
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cc2c([nH]c1=O)CCC(C(C)C)C2
InChIInChI=1S/C13H19NO/c1-8(2)10-4-5-12-11(7-10)6-9(3)13(15)14-12/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyHXLBNQTWLGBKRK-UHFFFAOYSA-N
XLogP2.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-nitro-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 139490103
6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82111894
N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 167831707
3-methyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 146432464
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112035
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 140655860
(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 123872864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82112815) is 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one is Cc1cc2c([nH]c1=O)CCC(C(C)C)C2.
What is the InChIKey of 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is HXLBNQTWLGBKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8(2)10-4-5-12-11(7-10)6-9(3)13(15)14-12/h6,8,10H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82112815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).