1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one

C142H120N18O11 — CID 167693135

IUPAC1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one
SMILESCC(=O)c1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)c1.CCc1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)n1.Cc1c(Oc2ccnc3cc(-n4cccc4)ccc23)cccc1C(=O)CCc1ccncc1.Cc1c(Oc2ccnc3cc(-n4ccnc4)ccc23)cccc1C(=O)CCc1ccncc1.Cc1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)n1
InChIInChI=1S/C30H25N3O3.C29H26N4O2.C28H24N4O2.C28H23N3O2.C27H22N4O2/c1-20-25(28(35)9-6-22-10-14-31-15-11-22)4-3-5-29(20)36-30-12-16-32-27-18-24(7-8-26(27)30)33-17-13-23(19-33)21(2)34;1-3-22-14-18-33(32-22)23-8-9-25-26(19-23)31-17-13-29(25)35-28-6-4-5-24(20(28)2)27(34)10-7-21-11-15-30-16-12-21;1-19-13-17-32(31-19)22-7-8-24-25(18-22)30-16-12-28(24)34-27-5-3-4-23(20(27)2)26(33)9-6-21-10-14-29-15-11-21;1-20-23(26(32)10-7-21-11-14-29-15-12-21)5-4-6-27(20)33-28-13-16-30-25-19-22(8-9-24(25)28)31-17-2-3-18-31;1-19-22(25(32)8-5-20-9-12-28-13-10-20)3-2-4-26(19)33-27-11-14-30-24-17-21(6-7-23(24)27)31-16-15-29-18-31/h3-5,7-8,10-19H,6,9H2,1-2H3;4-6,8-9,11-19H,3,7,10H2,1-2H3;3-5,7-8,10-18H,6,9H2,1-2H3;2-6,8-9,11-19H,7,10H2,1H3;2-4,6-7,9-18H,5,8H2,1H3
InChIKeyXGCZWFHASICPEM-UHFFFAOYSA-N
MW2254.64 g/mol
LogP30.94
Rot. Bonds37

About 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one

1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one (PubChem CID 167693135) has the molecular formula C142H120N18O11 and a molecular weight of 2254.64 g/mol. Its IUPAC name is 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one
PubChem CID167693135
Molecular FormulaC142H120N18O11
Molecular Weight2254.64 g/mol
Exact Mass2252.94
IUPAC Name1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one
SMILESCC(=O)c1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)c1.CCc1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)n1.Cc1c(Oc2ccnc3cc(-n4cccc4)ccc23)cccc1C(=O)CCc1ccncc1.Cc1c(Oc2ccnc3cc(-n4ccnc4)ccc23)cccc1C(=O)CCc1ccncc1.Cc1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)n1
InChIInChI=1S/C30H25N3O3.C29H26N4O2.C28H24N4O2.C28H23N3O2.C27H22N4O2/c1-20-25(28(35)9-6-22-10-14-31-15-11-22)4-3-5-29(20)36-30-12-16-32-27-18-24(7-8-26(27)30)33-17-13-23(19-33)21(2)34;1-3-22-14-18-33(32-22)23-8-9-25-26(19-23)31-17-13-29(25)35-28-6-4-5-24(20(28)2)27(34)10-7-21-11-15-30-16-12-21;1-19-13-17-32(31-19)22-7-8-24-25(18-22)30-16-12-28(24)34-27-5-3-4-23(20(27)2)26(33)9-6-21-10-14-29-15-11-21;1-20-23(26(32)10-7-21-11-14-29-15-12-21)5-4-6-27(20)33-28-13-16-30-25-19-22(8-9-24(25)28)31-17-2-3-18-31;1-19-22(25(32)8-5-20-9-12-28-13-10-20)3-2-4-26(19)33-27-11-14-30-24-17-21(6-7-23(24)27)31-16-15-29-18-31/h3-5,7-8,10-19H,6,9H2,1-2H3;4-6,8-9,11-19H,3,7,10H2,1-2H3;3-5,7-8,10-18H,6,9H2,1-2H3;2-6,8-9,11-19H,7,10H2,1H3;2-4,6-7,9-18H,5,8H2,1H3
InChIKeyXGCZWFHASICPEM-UHFFFAOYSA-N
XLogP30.94
TPSA340.79 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002254.64
LogP ≤ 530.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one (CID 167693135) is 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one is CC(=O)c1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)c1.CCc1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)n1.Cc1c(Oc2ccnc3cc(-n4cccc4)ccc23)cccc1C(=O)CCc1ccncc1.Cc1c(Oc2ccnc3cc(-n4ccnc4)ccc23)cccc1C(=O)CCc1ccncc1.Cc1ccn(-c2ccc3c(Oc4cccc(C(=O)CCc5ccncc5)c4C)ccnc3c2)n1.
What is the InChIKey of 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is XGCZWFHASICPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3.C29H26N4O2.C28H24N4O2.C28H23N3O2.C27H22N4O2/c1-20-25(28(35)9-6-22-10-14-31-15-11-22)4-3-5-29(20)36-30-12-16-32-27-18-24(7-8-26(27)30)33-17-13-23(19-33)21(2)34;1-3-22-14-18-33(32-22)23-8-9-25-26(19-23)31-17-13-29(25)35-28-6-4-5-24(20(28)2)27(34)10-7-21-11-15-30-16-12-21;1-19-13-17-32(31-19)22-7-8-24-25(18-22)30-16-12-28(24)34-27-5-3-4-23(20(27)2)26(33)9-6-21-10-14-29-15-11-21;1-20-23(26(32)10-7-21-11-14-29-15-12-21)5-4-6-27(20)33-28-13-16-30-25-19-22(8-9-24(25)28)31-17-2-3-18-31;1-19-22(25(32)8-5-20-9-12-28-13-10-20)3-2-4-26(19)33-27-11-14-30-24-17-21(6-7-23(24)27)31-16-15-29-18-31/h3-5,7-8,10-19H,6,9H2,1-2H3;4-6,8-9,11-19H,3,7,10H2,1-2H3;3-5,7-8,10-18H,6,9H2,1-2H3;2-6,8-9,11-19H,7,10H2,1H3;2-4,6-7,9-18H,5,8H2,1H3.
What are the key properties of 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one?
1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 2254.64 g/mol, XLogP of 30.94, 37 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(3-acetylpyrrol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-[7-(3-ethylpyrazol-1-yl)quinolin-4-yl]oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[3-(7-imidazol-1-ylquinolin-4-yl)oxy-2-methylphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]-3-pyridin-4-ylpropan-1-one;1-[2-methyl-3-(7-pyrrol-1-ylquinolin-4-yl)oxyphenyl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 167693135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).