1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one

C152H128Cl3F8N11O19 — CID 162052080

IUPAC1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3.C20H18FNO3.C19H16ClNO3.C19H16ClNO2.2C19H16FNO2.C18H14F3N3O2.C18H14F2N2O2/c1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14;1-2-24-20(23)10-15-9-16-5-8-18(11-19(16)22-12-15)25-13-14-3-6-17(21)7-4-14;1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-13(22)8-15-9-16-4-7-18(10-19(16)21-11-15)23-12-14-2-5-17(20)6-3-14;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21;1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2*3-9,11-12H,2,10,13H2,1H3;2-8,10-11H,9,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9-11H,8,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-4,6-9H,5,10H2,1H3;2-3,5-9H,4,10H2,1H3
InChIKeyYYRGTDKSEVPZIT-UHFFFAOYSA-N
MW2671.10 g/mol
LogP32.95
Rot. Bonds42

About 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one

1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one (PubChem CID 162052080) has the molecular formula C152H128Cl3F8N11O19 and a molecular weight of 2671.10 g/mol. Its IUPAC name is 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
PubChem CID162052080
Molecular FormulaC152H128Cl3F8N11O19
Molecular Weight2671.10 g/mol
Exact Mass2667.83
IUPAC Name1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3.C20H18FNO3.C19H16ClNO3.C19H16ClNO2.2C19H16FNO2.C18H14F3N3O2.C18H14F2N2O2/c1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14;1-2-24-20(23)10-15-9-16-5-8-18(11-19(16)22-12-15)25-13-14-3-6-17(21)7-4-14;1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-13(22)8-15-9-16-4-7-18(10-19(16)21-11-15)23-12-14-2-5-17(20)6-3-14;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21;1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2*3-9,11-12H,2,10,13H2,1H3;2-8,10-11H,9,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9-11H,8,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-4,6-9H,5,10H2,1H3;2-3,5-9H,4,10H2,1H3
InChIKeyYYRGTDKSEVPZIT-UHFFFAOYSA-N
XLogP32.95
TPSA379.88 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002671.10
LogP ≤ 532.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one (CID 162052080) is 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The canonical SMILES for 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one is CC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The InChIKey is YYRGTDKSEVPZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3.C20H18FNO3.C19H16ClNO3.C19H16ClNO2.2C19H16FNO2.C18H14F3N3O2.C18H14F2N2O2/c1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14;1-2-24-20(23)10-15-9-16-5-8-18(11-19(16)22-12-15)25-13-14-3-6-17(21)7-4-14;1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-13(22)8-15-9-16-4-7-18(10-19(16)21-11-15)23-12-14-2-5-17(20)6-3-14;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21;1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2*3-9,11-12H,2,10,13H2,1H3;2-8,10-11H,9,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9-11H,8,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-4,6-9H,5,10H2,1H3;2-3,5-9H,4,10H2,1H3.
What are the key properties of 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one has a molecular weight of 2671.10 g/mol, XLogP of 32.95, 42 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one is sourced from PubChem (CID 162052080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).