8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one

C17H13NO3 — CID 118101187

IUPAC8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
SMILESCOc1ccc2c(c1)oc1c(=O)c3ccc(C)cc3[nH]c12
InChIInChI=1S/C17H13NO3/c1-9-3-5-11-13(7-9)18-15-12-6-4-10(20-2)8-14(12)21-17(15)16(11)19/h3-8H,1-2H3,(H,18,19)
InChIKeyWICQHISLMJDGDJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.74
Rot. Bonds1

About 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one

8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one (PubChem CID 118101187) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one.

Molecular Properties

Compound Name8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
PubChem CID118101187
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
SMILESCOc1ccc2c(c1)oc1c(=O)c3ccc(C)cc3[nH]c12
InChIInChI=1S/C17H13NO3/c1-9-3-5-11-13(7-9)18-15-12-6-4-10(20-2)8-14(12)21-17(15)16(11)19/h3-8H,1-2H3,(H,18,19)
InChIKeyWICQHISLMJDGDJ-UHFFFAOYSA-N
XLogP3.74
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 144582480
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
6-(hydroxymethyl)-16,26-dimethoxy-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-10,20,30-trione;7-(hydroxymethyl)-17,27-dimethoxy-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-10,20,30-trione;6,16,26-trimethyl-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4(9),5,7,11,14(19),15,17,21,24(29),25,27-dodecaene-10,20,30-trione;7,17,27-trimethyl-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4(9),5,7,11,14(19),15,17,21,24(29),25,27-dodecaene-10,20,30-trione
CID 158031371
9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one
CID 11440255
2-methoxy-7-methyldibenzofuran
CID 122387372
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione
CID 101038958
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate
CID 71518904
4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one
CID 118156079
7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
CID 101286257
4-methoxy-2-methyl-6-phenoxyxanthen-9-one
CID 139462389

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one?
The IUPAC name of 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one (CID 118101187) is 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one.
What is the SMILES notation for 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one?
The canonical SMILES for 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one is COc1ccc2c(c1)oc1c(=O)c3ccc(C)cc3[nH]c12.
What is the InChIKey of 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one?
The InChIKey is WICQHISLMJDGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-9-3-5-11-13(7-9)18-15-12-6-4-10(20-2)8-14(12)21-17(15)16(11)19/h3-8H,1-2H3,(H,18,19).
What are the key properties of 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one?
8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one has a molecular weight of 279.30 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one is sourced from PubChem (CID 118101187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).