3,4-ditert-butyl-1H-quinolin-2-one

C17H23NO — CID 58782577

IUPAC3,4-ditert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)c1c(C(C)(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H23NO/c1-16(2,3)13-11-9-7-8-10-12(11)18-15(19)14(13)17(4,5)6/h7-10H,1-6H3,(H,18,19)
InChIKeyYCWOANBKOKDKCZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.12
Rot. Bonds

About 3,4-ditert-butyl-1H-quinolin-2-one

3,4-ditert-butyl-1H-quinolin-2-one (PubChem CID 58782577) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3,4-ditert-butyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4-ditert-butyl-1H-quinolin-2-one
PubChem CID58782577
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3,4-ditert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)c1c(C(C)(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H23NO/c1-16(2,3)13-11-9-7-8-10-12(11)18-15(19)14(13)17(4,5)6/h7-10H,1-6H3,(H,18,19)
InChIKeyYCWOANBKOKDKCZ-UHFFFAOYSA-N
XLogP4.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-ditert-butyl-1H-indole
CID 22374639
10H-acridin-9-one;ethane
CID 91525380
3,4-ditert-butyl-9H-carbazole
CID 141464805
10H-acridin-9-one
CID 22753806
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
4H-diazeto[3,4-c]quinolin-3-one
CID 136619278
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
8-methyl-5H-phenanthridin-6-one
CID 102200304
3-methyl-4-propan-2-yl-1H-quinolin-2-one
CID 70906749
3-pyridin-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 154100470

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1H-quinolin-2-one?
The IUPAC name of 3,4-ditert-butyl-1H-quinolin-2-one (CID 58782577) is 3,4-ditert-butyl-1H-quinolin-2-one.
What is the SMILES notation for 3,4-ditert-butyl-1H-quinolin-2-one?
The canonical SMILES for 3,4-ditert-butyl-1H-quinolin-2-one is CC(C)(C)c1c(C(C)(C)C)c2ccccc2[nH]c1=O.
What is the InChIKey of 3,4-ditert-butyl-1H-quinolin-2-one?
The InChIKey is YCWOANBKOKDKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2,3)13-11-9-7-8-10-12(11)18-15(19)14(13)17(4,5)6/h7-10H,1-6H3,(H,18,19).
What are the key properties of 3,4-ditert-butyl-1H-quinolin-2-one?
3,4-ditert-butyl-1H-quinolin-2-one has a molecular weight of 257.38 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1H-quinolin-2-one is sourced from PubChem (CID 58782577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).