bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride

C60H57ClN8O8 — CID 159900439

IUPACbis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1cc(C)cc(C)n1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1cc(C)cc(C)n1)c(=O)n2Cc1ccccn1.Cl
InChIInChI=1S/2C30H28N4O4.ClH/c2*1-17-10-18(2)32-23(11-17)14-27(35)24-12-21-13-25(29-19(3)33-38-20(29)4)28(37-5)15-26(21)34(30(24)36)16-22-8-6-7-9-31-22;/h2*6-13,15H,14,16H2,1-5H3;1H
InChIKeyAGYGDNGHYYKIKC-UHFFFAOYSA-N
MW1053.62 g/mol
LogP10.75
Rot. Bonds14

About bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride

bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride (PubChem CID 159900439) has the molecular formula C60H57ClN8O8 and a molecular weight of 1053.62 g/mol. Its IUPAC name is bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride.

Molecular Properties

Compound Namebis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride
PubChem CID159900439
Molecular FormulaC60H57ClN8O8
Molecular Weight1053.62 g/mol
Exact Mass1052.40
IUPAC Namebis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1cc(C)cc(C)n1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1cc(C)cc(C)n1)c(=O)n2Cc1ccccn1.Cl
InChIInChI=1S/2C30H28N4O4.ClH/c2*1-17-10-18(2)32-23(11-17)14-27(35)24-12-21-13-25(29-19(3)33-38-20(29)4)28(37-5)15-26(21)34(30(24)36)16-22-8-6-7-9-31-22;/h2*6-13,15H,14,16H2,1-5H3;1H
InChIKeyAGYGDNGHYYKIKC-UHFFFAOYSA-N
XLogP10.75
TPSA200.22 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.62
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride?
The IUPAC name of bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride (CID 159900439) is bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride.
What is the SMILES notation for bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride?
The canonical SMILES for bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride is COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1cc(C)cc(C)n1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1cc(C)cc(C)n1)c(=O)n2Cc1ccccn1.Cl.
What is the InChIKey of bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride?
The InChIKey is AGYGDNGHYYKIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28N4O4.ClH/c2*1-17-10-18(2)32-23(11-17)14-27(35)24-12-21-13-25(29-19(3)33-38-20(29)4)28(37-5)15-26(21)34(30(24)36)16-22-8-6-7-9-31-22;/h2*6-13,15H,14,16H2,1-5H3;1H.
What are the key properties of bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride?
bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride has a molecular weight of 1053.62 g/mol, XLogP of 10.75, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4,6-dimethyl-2-pyridinyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one);hydrochloride is sourced from PubChem (CID 159900439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).