2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C14H19NO2 — CID 44560612

IUPAC2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCCCC(=O)c1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17)
InChIKeyUBZGCHSBAOJHLE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.63
Rot. Bonds4

About 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 44560612) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID44560612
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCCCC(=O)c1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17)
InChIKeyUBZGCHSBAOJHLE-UHFFFAOYSA-N
XLogP2.63
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinolin-4-ol
CID 15171318
1,3,4,5,6,7,8,10-Octahydro-2H-acridin-9-one
CID 58869997
6-fluoro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168262166
2,5-Bis(methylamino)-3-octadecyl-1,4-benzoquinone
CID 634494
3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
CID 10867410
2,3-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12430505
2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798228
2-propyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798234
2-Ethyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 14950475
2-Ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one
CID 14950494
3-ethyl-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 16090641

Frequently Asked Questions

What is the IUPAC name of 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 44560612) is 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is CCCCC(=O)c1cc(=O)c2c([nH]1)CCCC2.
What is the InChIKey of 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is UBZGCHSBAOJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 233.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 44560612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).