(4-tert-butylphenyl)-quinolin-8-ylmethanone

C20H19NO — CID 102581511

IUPAC(4-tert-butylphenyl)-quinolin-8-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H19NO/c1-20(2,3)16-11-9-15(10-12-16)19(22)17-8-4-6-14-7-5-13-21-18(14)17/h4-13H,1-3H3
InChIKeyKWLSWFMOPJMMQF-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.76
Rot. Bonds2

About (4-tert-butylphenyl)-quinolin-8-ylmethanone

(4-tert-butylphenyl)-quinolin-8-ylmethanone (PubChem CID 102581511) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-quinolin-8-ylmethanone
PubChem CID102581511
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(4-tert-butylphenyl)-quinolin-8-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H19NO/c1-20(2,3)16-11-9-15(10-12-16)19(22)17-8-4-6-14-7-5-13-21-18(14)17/h4-13H,1-3H3
InChIKeyKWLSWFMOPJMMQF-UHFFFAOYSA-N
XLogP4.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
CID 116552296
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
CID 115608476
palladium;quinoline-8-carboxylic acid
CID 174945118
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
(5-methoxy-3-pyridinyl)-quinolin-8-ylmethanone
CID 105124008
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
4-tert-butyl-N-(quinolin-8-ylcarbamoyl)-N-sulfanylbenzamide
CID 89499160
N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
CID 134106621
2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one
CID 81220801

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-quinolin-8-ylmethanone?
The IUPAC name of (4-tert-butylphenyl)-quinolin-8-ylmethanone (CID 102581511) is (4-tert-butylphenyl)-quinolin-8-ylmethanone.
What is the SMILES notation for (4-tert-butylphenyl)-quinolin-8-ylmethanone?
The canonical SMILES for (4-tert-butylphenyl)-quinolin-8-ylmethanone is CC(C)(C)c1ccc(C(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of (4-tert-butylphenyl)-quinolin-8-ylmethanone?
The InChIKey is KWLSWFMOPJMMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-20(2,3)16-11-9-15(10-12-16)19(22)17-8-4-6-14-7-5-13-21-18(14)17/h4-13H,1-3H3.
What are the key properties of (4-tert-butylphenyl)-quinolin-8-ylmethanone?
(4-tert-butylphenyl)-quinolin-8-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-quinolin-8-ylmethanone is sourced from PubChem (CID 102581511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).