2-tert-butyl-8-methoxy-1H-quinolin-4-one

C14H17NO2 — CID 10799531

IUPAC2-tert-butyl-8-methoxy-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)cc(C(C)(C)C)[nH]c12
InChIInChI=1S/C14H17NO2/c1-14(2,3)12-8-10(16)9-6-5-7-11(17-4)13(9)15-12/h5-8H,1-4H3,(H,15,16)
InChIKeyWCYUZMPYCOKRPD-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.83
Rot. Bonds1

About 2-tert-butyl-8-methoxy-1H-quinolin-4-one

2-tert-butyl-8-methoxy-1H-quinolin-4-one (PubChem CID 10799531) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-tert-butyl-8-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-tert-butyl-8-methoxy-1H-quinolin-4-one
PubChem CID10799531
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-tert-butyl-8-methoxy-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)cc(C(C)(C)C)[nH]c12
InChIInChI=1S/C14H17NO2/c1-14(2,3)12-8-10(16)9-6-5-7-11(17-4)13(9)15-12/h5-8H,1-4H3,(H,15,16)
InChIKeyWCYUZMPYCOKRPD-UHFFFAOYSA-N
XLogP2.83
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
4-tert-butyl-5-methoxy-10H-acridin-9-one
CID 130376866
2-methyl-8-phenoxy-1H-quinolin-4-one
CID 43668334
2-tert-butyl-1H-1,8-naphthyridin-4-one
CID 84670757
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
ethane;7-methoxy-2-methyl-1H-indole
CID 143863749
8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one
CID 43668152
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
8-amino-2-methyl-1H-quinolin-4-one
CID 21448150
7-methoxy-1H-2,1-benzoxazol-3-one
CID 105432561

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-tert-butyl-8-methoxy-1H-quinolin-4-one (CID 10799531) is 2-tert-butyl-8-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-tert-butyl-8-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-tert-butyl-8-methoxy-1H-quinolin-4-one is COc1cccc2c(=O)cc(C(C)(C)C)[nH]c12.
What is the InChIKey of 2-tert-butyl-8-methoxy-1H-quinolin-4-one?
The InChIKey is WCYUZMPYCOKRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)12-8-10(16)9-6-5-7-11(17-4)13(9)15-12/h5-8H,1-4H3,(H,15,16).
What are the key properties of 2-tert-butyl-8-methoxy-1H-quinolin-4-one?
2-tert-butyl-8-methoxy-1H-quinolin-4-one has a molecular weight of 231.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 10799531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).