1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one

C26H29NO2 — CID 102018328

IUPAC1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one
SMILESCC(C)(C)C1=C(c2cc(=O)n(Cc3ccccc3)c3ccccc23)OCC1(C)C
InChIInChI=1S/C26H29NO2/c1-25(2,3)24-23(29-17-26(24,4)5)20-15-22(28)27(16-18-11-7-6-8-12-18)21-14-10-9-13-19(20)21/h6-15H,16-17H2,1-5H3
InChIKeyFHKFJUJLVYFJBK-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.86
Rot. Bonds3

About 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one

1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one (PubChem CID 102018328) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one
PubChem CID102018328
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one
SMILESCC(C)(C)C1=C(c2cc(=O)n(Cc3ccccc3)c3ccccc23)OCC1(C)C
InChIInChI=1S/C26H29NO2/c1-25(2,3)24-23(29-17-26(24,4)5)20-15-22(28)27(16-18-11-7-6-8-12-18)21-14-10-9-13-19(20)21/h6-15H,16-17H2,1-5H3
InChIKeyFHKFJUJLVYFJBK-UHFFFAOYSA-N
XLogP5.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(3-chlorophenyl)quinolin-2-one
CID 166442707
4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 141068273
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one
CID 39767911
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
1-benzyl-4-prop-2-ynoxyquinolin-2-one
CID 10085571
4-(1-benzyl-2-oxoquinolin-4-yl)oxybutanoic acid
CID 53212411
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one
CID 156601447
1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 101473083
(3aS,4S,10aR)-9-benzyl-4-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3a,10,10a-tetrahydrofuro[3,4-b]carbazol-3-one
CID 155936478

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one?
The IUPAC name of 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one (CID 102018328) is 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one.
What is the SMILES notation for 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one?
The canonical SMILES for 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one is CC(C)(C)C1=C(c2cc(=O)n(Cc3ccccc3)c3ccccc23)OCC1(C)C.
What is the InChIKey of 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one?
The InChIKey is FHKFJUJLVYFJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-25(2,3)24-23(29-17-26(24,4)5)20-15-22(28)27(16-18-11-7-6-8-12-18)21-14-10-9-13-19(20)21/h6-15H,16-17H2,1-5H3.
What are the key properties of 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one?
1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one has a molecular weight of 387.52 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one is sourced from PubChem (CID 102018328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).