8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C15H12N2O3 — CID 2997458

IUPAC8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1CC(c2cccnc2)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C15H12N2O3/c18-15-5-10(9-2-1-3-16-7-9)11-4-13-14(20-8-19-13)6-12(11)17-15/h1-4,6-7,10H,5,8H2,(H,17,18)
InChIKeyXHZXTTLZXWJYCM-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.28
Rot. Bonds1

About 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 2997458) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID2997458
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1CC(c2cccnc2)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C15H12N2O3/c18-15-5-10(9-2-1-3-16-7-9)11-4-13-14(20-8-19-13)6-12(11)17-15/h1-4,6-7,10H,5,8H2,(H,17,18)
InChIKeyXHZXTTLZXWJYCM-UHFFFAOYSA-N
XLogP2.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

13-[2-(Dimethylamino)ethyl]-2,3-dimethoxybenzo[h][1,3]benzodioxolo[5,6-c][2,6]naphthyridin-12(13H)-one
CID 22256570
20-[3-(Dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one
CID 11988333
10-Amino-2,3-Methylenedioxy-5-[2-(N,N-Dimethylamino)Ethyl]-5H-Dibenzo[c,h][1,6]Naphthyridin-6-One
CID 11025207
9-Amino-2,3-Methylenedioxy-5-[2-(N,N-Dimethylamino)Ethyl]-5H-Dibenzo[c,h][1,6]Naphthyridin-6-One
CID 11079326
5-(2-Dimethylaminoethyl)-2,3-methylenedioxy-5h-dibenzo[c,h][1,6]naphthyridin-6-one
CID 11121987
7-methoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255581
2-(1,3-benzodioxol-5-yl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 153605824
N-(1,3-benzodioxol-5-yl)-6-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 1261604
N-(1,3-benzodioxol-5-yl)-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 2403391
6,7-Dimethoxy-4-(4-pyridyl)-1,3,4-trihydroquinolin-2-one
CID 2982734
9-(pyridin-4-yl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2983583
6,7-Dimethoxy-4-(3-pyridyl)-1,3,4-trihydroquinolin-2-one
CID 2996925

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 2997458) is 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=C1CC(c2cccnc2)c2cc3c(cc2N1)OCO3.
What is the InChIKey of 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is XHZXTTLZXWJYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15-5-10(9-2-1-3-16-7-9)11-4-13-14(20-8-19-13)6-12(11)17-15/h1-4,6-7,10H,5,8H2,(H,17,18).
What are the key properties of 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 268.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 2997458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).