6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C63H52BrN5O7 — CID 157414485

IUPAC6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(O)(c1ccccc1)c1ccccc1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1Br)cc(C(O)(c1ccccc1)c1ccccc1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C34H29N3O4.C29H23BrN2O3/c1-22-32(23(2)41-36-22)28-18-24-19-29(34(39,25-12-6-4-7-13-25)26-14-8-5-9-15-26)33(38)37(30(24)20-31(28)40-3)21-27-16-10-11-17-35-27;1-35-27-18-26-20(17-25(27)30)16-24(28(33)32(26)19-23-14-8-9-15-31-23)29(34,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h4-20,39H,21H2,1-3H3;2-18,34H,19H2,1H3
InChIKeyBORIEIVYAAPDRU-UHFFFAOYSA-N
MW1071.04 g/mol
LogP11.51
Rot. Bonds13

About 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 157414485) has the molecular formula C63H52BrN5O7 and a molecular weight of 1071.04 g/mol. Its IUPAC name is 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID157414485
Molecular FormulaC63H52BrN5O7
Molecular Weight1071.04 g/mol
Exact Mass1069.31
IUPAC Name6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(O)(c1ccccc1)c1ccccc1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1Br)cc(C(O)(c1ccccc1)c1ccccc1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C34H29N3O4.C29H23BrN2O3/c1-22-32(23(2)41-36-22)28-18-24-19-29(34(39,25-12-6-4-7-13-25)26-14-8-5-9-15-26)33(38)37(30(24)20-31(28)40-3)21-27-16-10-11-17-35-27;1-35-27-18-26-20(17-25(27)30)16-24(28(33)32(26)19-23-14-8-9-15-31-23)29(34,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h4-20,39H,21H2,1-3H3;2-18,34H,19H2,1H3
InChIKeyBORIEIVYAAPDRU-UHFFFAOYSA-N
XLogP11.51
TPSA154.73 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.04
LogP ≤ 511.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 157414485) is 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)cc(C(O)(c1ccccc1)c1ccccc1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1Br)cc(C(O)(c1ccccc1)c1ccccc1)c(=O)n2Cc1ccccn1.
What is the InChIKey of 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is BORIEIVYAAPDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O4.C29H23BrN2O3/c1-22-32(23(2)41-36-22)28-18-24-19-29(34(39,25-12-6-4-7-13-25)26-14-8-5-9-15-26)33(38)37(30(24)20-31(28)40-3)21-27-16-10-11-17-35-27;1-35-27-18-26-20(17-25(27)30)16-24(28(33)32(26)19-23-14-8-9-15-31-23)29(34,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h4-20,39H,21H2,1-3H3;2-18,34H,19H2,1H3.
What are the key properties of 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 1071.04 g/mol, XLogP of 11.51, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 157414485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).