1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone

C17H21NO — CID 82448088

IUPAC1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
SMILESCC(=O)c1cc(C(C)C)nc2c(C(C)C)cccc12
InChIInChI=1S/C17H21NO/c1-10(2)13-7-6-8-14-15(12(5)19)9-16(11(3)4)18-17(13)14/h6-11H,1-5H3
InChIKeyQSSJWWKNWIEKFY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.68
Rot. Bonds3

About 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone

1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone (PubChem CID 82448088) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
PubChem CID82448088
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
SMILESCC(=O)c1cc(C(C)C)nc2c(C(C)C)cccc12
InChIInChI=1S/C17H21NO/c1-10(2)13-7-6-8-14-15(12(5)19)9-16(11(3)4)18-17(13)14/h6-11H,1-5H3
InChIKeyQSSJWWKNWIEKFY-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447892
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447995
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
2,8-di(propan-2-yl)quinoline-4-carbonitrile
CID 82448066
2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3973517
6-bromo-2,8-di(propan-2-yl)quinoline-4-carboxylic acid
CID 82184108
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82447982
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82447884

Frequently Asked Questions

What is the IUPAC name of 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone?
The IUPAC name of 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone (CID 82448088) is 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone.
What is the SMILES notation for 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone?
The canonical SMILES for 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone is CC(=O)c1cc(C(C)C)nc2c(C(C)C)cccc12.
What is the InChIKey of 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone?
The InChIKey is QSSJWWKNWIEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-10(2)13-7-6-8-14-15(12(5)19)9-16(11(3)4)18-17(13)14/h6-11H,1-5H3.
What are the key properties of 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone?
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone has a molecular weight of 255.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone is sourced from PubChem (CID 82448088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).