9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C24H18ClNO4 — CID 42648403

IUPAC9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOc1ccccc1-c1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C24H18ClNO4/c1-28-19-5-3-2-4-16(19)23-22(14-6-8-15(25)9-7-14)17-12-20-21(30-11-10-29-20)13-18(17)26-24(23)27/h2-9,12-13H,10-11H2,1H3,(H,26,27)
InChIKeyUFFSEIJALKUBMT-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.30
Rot. Bonds3

About 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 42648403) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID42648403
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC Name9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOc1ccccc1-c1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C24H18ClNO4/c1-28-19-5-3-2-4-16(19)23-22(14-6-8-15(25)9-7-14)17-12-20-21(30-11-10-29-20)13-18(17)26-24(23)27/h2-9,12-13H,10-11H2,1H3,(H,26,27)
InChIKeyUFFSEIJALKUBMT-UHFFFAOYSA-N
XLogP5.30
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Related Compounds

4-hydroxy-7-methoxy-3-(2-methoxyphenyl)-1H-quinolin-2-one
CID 54691271
5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione
CID 139827026
7-chloro-4-hydroxy-3-[3-(2-methoxyphenyl)phenyl]-2-oxo-1H-quinoline-6-carbonitrile
CID 54706679
3-(6-bromo-7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl)benzonitrile
CID 50916854
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
3-(1,3-benzodioxol-5-yl)-7-chloro-4-hydroxy-1H-quinolin-2-one
CID 54732078
8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 84638095
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 135674756
N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide
CID 1467371
5,7-dioxa-11-azapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(12),2,4(8),9,14,16,18-heptaene-13,20-dione
CID 10541575
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole
CID 102421670
1-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195037

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 42648403) is 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is COc1ccccc1-c1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3.
What is the InChIKey of 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is UFFSEIJALKUBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO4/c1-28-19-5-3-2-4-16(19)23-22(14-6-8-15(25)9-7-14)17-12-20-21(30-11-10-29-20)13-18(17)26-24(23)27/h2-9,12-13H,10-11H2,1H3,(H,26,27).
What are the key properties of 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 419.86 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-8-(2-methoxyphenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 42648403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).