2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone

C30H23Cl3N2O3 — CID 168510304

IUPAC2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone
SMILESNc1c2c(nc3c1C(c1ccc(Cl)c(Cl)c1)c1ccc(OCC(=O)c4ccc(Cl)cc4)cc1O3)CCCC2
InChIInChI=1S/C30H23Cl3N2O3/c31-18-8-5-16(6-9-18)25(36)15-37-19-10-11-21-26(14-19)38-30-28(27(21)17-7-12-22(32)23(33)13-17)29(34)20-3-1-2-4-24(20)35-30/h5-14,27H,1-4,15H2,(H2,34,35)
InChIKeyYWXJYJKUHOZQNX-UHFFFAOYSA-N
MW565.88 g/mol
LogP8.05
Rot. Bonds5

About 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone

2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone (PubChem CID 168510304) has the molecular formula C30H23Cl3N2O3 and a molecular weight of 565.88 g/mol. Its IUPAC name is 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone
PubChem CID168510304
Molecular FormulaC30H23Cl3N2O3
Molecular Weight565.88 g/mol
Exact Mass564.08
IUPAC Name2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone
SMILESNc1c2c(nc3c1C(c1ccc(Cl)c(Cl)c1)c1ccc(OCC(=O)c4ccc(Cl)cc4)cc1O3)CCCC2
InChIInChI=1S/C30H23Cl3N2O3/c31-18-8-5-16(6-9-18)25(36)15-37-19-10-11-21-26(14-19)38-30-28(27(21)17-7-12-22(32)23(33)13-17)29(34)20-3-1-2-4-24(20)35-30/h5-14,27H,1-4,15H2,(H2,34,35)
InChIKeyYWXJYJKUHOZQNX-UHFFFAOYSA-N
XLogP8.05
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.88
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
CID 71569901
2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
CID 46307497
(3R)-5-[2-(3,4-dichlorophenoxy)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9196934
9-(4-chlorophenyl)-5-methoxy-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene
CID 71570051
(9S)-13-[(4-chlorophenoxy)methyl]-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 40964740
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
CID 11337309
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
[2-amino-4-(4-chlorophenyl)-3-cyano-4H-chromen-7-yl] 4-propoxybenzoate
CID 19121624

Frequently Asked Questions

What is the IUPAC name of 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone (CID 168510304) is 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone is Nc1c2c(nc3c1C(c1ccc(Cl)c(Cl)c1)c1ccc(OCC(=O)c4ccc(Cl)cc4)cc1O3)CCCC2.
What is the InChIKey of 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone?
The InChIKey is YWXJYJKUHOZQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl3N2O3/c31-18-8-5-16(6-9-18)25(36)15-37-19-10-11-21-26(14-19)38-30-28(27(21)17-7-12-22(32)23(33)13-17)29(34)20-3-1-2-4-24(20)35-30/h5-14,27H,1-4,15H2,(H2,34,35).
What are the key properties of 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone?
2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone has a molecular weight of 565.88 g/mol, XLogP of 8.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[11-amino-12-(3,4-dichlorophenyl)-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-yl]oxy]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 168510304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).