8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline

C40H41Cl3N4O5 — CID 158965763

IUPAC8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline
SMILESCOCCOc1ccc2c(=O)cc(-c3cccc(C(C)C)n3)[nH]c2c1Cl.COCCOc1ccc2c(Cl)cc(-c3cccc(C(C)C)n3)nc2c1Cl
InChIInChI=1S/C20H20Cl2N2O2.C20H21ClN2O3/c1-12(2)15-5-4-6-16(23-15)17-11-14(21)13-7-8-18(26-10-9-25-3)19(22)20(13)24-17;1-12(2)14-5-4-6-15(22-14)16-11-17(24)13-7-8-18(26-10-9-25-3)19(21)20(13)23-16/h4-8,11-12H,9-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3,(H,23,24)
InChIKeyJNEITBWIVMDPNY-UHFFFAOYSA-N
MW764.15 g/mol
LogP10.14
Rot. Bonds12

About 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline

8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline (PubChem CID 158965763) has the molecular formula C40H41Cl3N4O5 and a molecular weight of 764.15 g/mol. Its IUPAC name is 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline.

Molecular Properties

Compound Name8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline
PubChem CID158965763
Molecular FormulaC40H41Cl3N4O5
Molecular Weight764.15 g/mol
Exact Mass762.21
IUPAC Name8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline
SMILESCOCCOc1ccc2c(=O)cc(-c3cccc(C(C)C)n3)[nH]c2c1Cl.COCCOc1ccc2c(Cl)cc(-c3cccc(C(C)C)n3)nc2c1Cl
InChIInChI=1S/C20H20Cl2N2O2.C20H21ClN2O3/c1-12(2)15-5-4-6-16(23-15)17-11-14(21)13-7-8-18(26-10-9-25-3)19(22)20(13)24-17;1-12(2)14-5-4-6-15(22-14)16-11-17(24)13-7-8-18(26-10-9-25-3)19(21)20(13)23-16/h4-8,11-12H,9-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3,(H,23,24)
InChIKeyJNEITBWIVMDPNY-UHFFFAOYSA-N
XLogP10.14
TPSA108.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.15
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline?
The IUPAC name of 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline (CID 158965763) is 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline.
What is the SMILES notation for 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline?
The canonical SMILES for 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline is COCCOc1ccc2c(=O)cc(-c3cccc(C(C)C)n3)[nH]c2c1Cl.COCCOc1ccc2c(Cl)cc(-c3cccc(C(C)C)n3)nc2c1Cl.
What is the InChIKey of 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline?
The InChIKey is JNEITBWIVMDPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2.C20H21ClN2O3/c1-12(2)15-5-4-6-16(23-15)17-11-14(21)13-7-8-18(26-10-9-25-3)19(22)20(13)24-17;1-12(2)14-5-4-6-15(22-14)16-11-17(24)13-7-8-18(26-10-9-25-3)19(21)20(13)23-16/h4-8,11-12H,9-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3,(H,23,24).
What are the key properties of 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline?
8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline has a molecular weight of 764.15 g/mol, XLogP of 10.14, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)-1H-quinolin-4-one;4,8-dichloro-7-(2-methoxyethoxy)-2-(6-propan-2-yl-2-pyridinyl)quinoline is sourced from PubChem (CID 158965763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).