4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one

C24H24N2O — CID 25022613

IUPAC4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one
SMILESCC(C)(C)c1ccc(C2=CC(=O)N(c3ccc4cccnc4c3)CC2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)20-9-6-17(7-10-20)19-12-14-26(23(27)15-19)21-11-8-18-5-4-13-25-22(18)16-21/h4-11,13,15-16H,12,14H2,1-3H3
InChIKeyOOAJRXIJQAVJTJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.35
Rot. Bonds2

About 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one

4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one (PubChem CID 25022613) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one
PubChem CID25022613
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one
SMILESCC(C)(C)c1ccc(C2=CC(=O)N(c3ccc4cccnc4c3)CC2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)20-9-6-17(7-10-20)19-12-14-26(23(27)15-19)21-11-8-18-5-4-13-25-22(18)16-21/h4-11,13,15-16H,12,14H2,1-3H3
InChIKeyOOAJRXIJQAVJTJ-UHFFFAOYSA-N
XLogP5.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-quinolin-7-ylcyclohept-2-en-1-one
CID 107382694
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25022631
7-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607595
2-methyl-2-quinolin-7-ylpropanoic acid
CID 81223992
4-quinolin-7-ylbenzoic acid
CID 81224662
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetic acid
CID 67222239
1-phenyl-1-quinolin-7-ylethanamine
CID 81216667
3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
CID 64969768
7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
2-(4-tert-butylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 71304960

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one?
The IUPAC name of 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one (CID 25022613) is 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one is CC(C)(C)c1ccc(C2=CC(=O)N(c3ccc4cccnc4c3)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one?
The InChIKey is OOAJRXIJQAVJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-24(2,3)20-9-6-17(7-10-20)19-12-14-26(23(27)15-19)21-11-8-18-5-4-13-25-22(18)16-21/h4-11,13,15-16H,12,14H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one?
4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one has a molecular weight of 356.47 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-quinolin-7-yl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 25022613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).