1-(2-methylquinolin-4-yl)hexan-3-one

C16H19NO — CID 79429367

IUPAC1-(2-methylquinolin-4-yl)hexan-3-one
SMILESCCCC(=O)CCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H19NO/c1-3-6-14(18)10-9-13-11-12(2)17-16-8-5-4-7-15(13)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKNSIGPQACTWIGA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-methylquinolin-4-yl)hexan-3-one

1-(2-methylquinolin-4-yl)hexan-3-one (PubChem CID 79429367) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-methylquinolin-4-yl)hexan-3-one.

Molecular Properties

Compound Name1-(2-methylquinolin-4-yl)hexan-3-one
PubChem CID79429367
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(2-methylquinolin-4-yl)hexan-3-one
SMILESCCCC(=O)CCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H19NO/c1-3-6-14(18)10-9-13-11-12(2)17-16-8-5-4-7-15(13)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKNSIGPQACTWIGA-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-hexyl-2-methylquinoline
CID 12861362
1-(2-methylquinolin-4-yl)hexan-3-ol
CID 79424356
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid
CID 79425470
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
(2-methylquinolin-4-yl)methanethiol
CID 79885955
3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
4-(2-bromobutyl)-2-methylquinoline
CID 63203840
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-4-yl)hexan-3-one?
The IUPAC name of 1-(2-methylquinolin-4-yl)hexan-3-one (CID 79429367) is 1-(2-methylquinolin-4-yl)hexan-3-one.
What is the SMILES notation for 1-(2-methylquinolin-4-yl)hexan-3-one?
The canonical SMILES for 1-(2-methylquinolin-4-yl)hexan-3-one is CCCC(=O)CCc1cc(C)nc2ccccc12.
What is the InChIKey of 1-(2-methylquinolin-4-yl)hexan-3-one?
The InChIKey is KNSIGPQACTWIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-6-14(18)10-9-13-11-12(2)17-16-8-5-4-7-15(13)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-4-yl)hexan-3-one?
1-(2-methylquinolin-4-yl)hexan-3-one has a molecular weight of 241.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-4-yl)hexan-3-one is sourced from PubChem (CID 79429367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).