6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

C14H15NO3 — CID 62914777

IUPAC6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCc1[nH]c2cc3c(cc2c(=O)c1C(C)C)OCO3
InChIInChI=1S/C14H15NO3/c1-7(2)13-8(3)15-10-5-12-11(17-6-18-12)4-9(10)14(13)16/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyAWEATALPBYJDPA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.69
Rot. Bonds1

About 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 62914777) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID62914777
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCc1[nH]c2cc3c(cc2c(=O)c1C(C)C)OCO3
InChIInChI=1S/C14H15NO3/c1-7(2)13-8(3)15-10-5-12-11(17-6-18-12)4-9(10)14(13)16/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyAWEATALPBYJDPA-UHFFFAOYSA-N
XLogP2.69
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxolinic Acid
CID 4628
Graveoline
CID 353825
1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one
CID 120000
Miloxacin
CID 37614
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
CID 6325654
6-(2-Fluorophenyl)-1,3-dioxolo(4,5-g)quinolin-8(5H)-one
CID 375860
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
Ethyl 5-Ethyl-8-oxo-5,8-dihydro-1,3-dioxolo[4,5-g]quinoline-7-carboxylate (Oxolinic Acid Ethyl Ester)
CID 3504015
6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 56645737
2-(1,3-Benzodioxol-5-yl)quinolin-4(1H)-one
CID 10901503

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 62914777) is 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is Cc1[nH]c2cc3c(cc2c(=O)c1C(C)C)OCO3.
What is the InChIKey of 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is AWEATALPBYJDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-7(2)13-8(3)15-10-5-12-11(17-6-18-12)4-9(10)14(13)16/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 245.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 62914777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).