1-quinolin-2-ylpentan-2-one

C14H15NO — CID 28935199

IUPAC1-quinolin-2-ylpentan-2-one
SMILESCCCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO/c1-2-5-13(16)10-12-9-8-11-6-3-4-7-14(11)15-12/h3-4,6-9H,2,5,10H2,1H3
InChIKeyBIIVVVPKFCPGKI-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.15
Rot. Bonds4

About 1-quinolin-2-ylpentan-2-one

1-quinolin-2-ylpentan-2-one (PubChem CID 28935199) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-quinolin-2-ylpentan-2-one.

Molecular Properties

Compound Name1-quinolin-2-ylpentan-2-one
PubChem CID28935199
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-quinolin-2-ylpentan-2-one
SMILESCCCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO/c1-2-5-13(16)10-12-9-8-11-6-3-4-7-14(11)15-12/h3-4,6-9H,2,5,10H2,1H3
InChIKeyBIIVVVPKFCPGKI-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
3,3-dimethyl-1-quinolin-2-ylpentan-2-one
CID 55103254
4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
CID 103147109
4-ethyl-1-quinolin-2-ylhex-3-en-2-one
CID 103458860
1-quinolin-2-ylbutan-1-one
CID 14895778
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
1,2-di(quinolin-2-yl)ethanone
CID 24973307
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-ylpentan-2-one?
The IUPAC name of 1-quinolin-2-ylpentan-2-one (CID 28935199) is 1-quinolin-2-ylpentan-2-one.
What is the SMILES notation for 1-quinolin-2-ylpentan-2-one?
The canonical SMILES for 1-quinolin-2-ylpentan-2-one is CCCC(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-quinolin-2-ylpentan-2-one?
The InChIKey is BIIVVVPKFCPGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-5-13(16)10-12-9-8-11-6-3-4-7-14(11)15-12/h3-4,6-9H,2,5,10H2,1H3.
What are the key properties of 1-quinolin-2-ylpentan-2-one?
1-quinolin-2-ylpentan-2-one has a molecular weight of 213.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-ylpentan-2-one is sourced from PubChem (CID 28935199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).