5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one

C25H17Cl4N5O4 — CID 59726145

IUPAC5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one
SMILESCOc1c(Cl)cc(Cl)c2c(=O)n(Cc3cccc(Cn4cnc5c(OC)c(Cl)cc(Cl)c5c4=O)n3)cnc12
InChIInChI=1S/C25H17Cl4N5O4/c1-37-22-16(28)6-14(26)18-20(22)30-10-33(24(18)35)8-12-4-3-5-13(32-12)9-34-11-31-21-19(25(34)36)15(27)7-17(29)23(21)38-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyCIYWINRIJDDWSN-UHFFFAOYSA-N
MW593.25 g/mol
LogP5.23
Rot. Bonds6

About 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one

5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one (PubChem CID 59726145) has the molecular formula C25H17Cl4N5O4 and a molecular weight of 593.25 g/mol. Its IUPAC name is 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one
PubChem CID59726145
Molecular FormulaC25H17Cl4N5O4
Molecular Weight593.25 g/mol
Exact Mass591.00
IUPAC Name5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one
SMILESCOc1c(Cl)cc(Cl)c2c(=O)n(Cc3cccc(Cn4cnc5c(OC)c(Cl)cc(Cl)c5c4=O)n3)cnc12
InChIInChI=1S/C25H17Cl4N5O4/c1-37-22-16(28)6-14(26)18-20(22)30-10-33(24(18)35)8-12-4-3-5-13(32-12)9-34-11-31-21-19(25(34)36)15(27)7-17(29)23(21)38-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyCIYWINRIJDDWSN-UHFFFAOYSA-N
XLogP5.23
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.25
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5,7-dichloro-8-methoxy-3-propylquinazolin-4-one
CID 59726087
5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 11580840
5-iodo-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 66342432
5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide
CID 162321762
5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one
CID 91258270
6,8-dichloro-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 30759999
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 59242565
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
CID 17459984
3-[(E)-but-2-enyl]-5,7-dichloro-8-hydroxyquinazolin-4-one;hydrobromide
CID 162321860
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one?
The IUPAC name of 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one (CID 59726145) is 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one?
The canonical SMILES for 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one is COc1c(Cl)cc(Cl)c2c(=O)n(Cc3cccc(Cn4cnc5c(OC)c(Cl)cc(Cl)c5c4=O)n3)cnc12.
What is the InChIKey of 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one?
The InChIKey is CIYWINRIJDDWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl4N5O4/c1-37-22-16(28)6-14(26)18-20(22)30-10-33(24(18)35)8-12-4-3-5-13(32-12)9-34-11-31-21-19(25(34)36)15(27)7-17(29)23(21)38-2/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one?
5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one has a molecular weight of 593.25 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one is sourced from PubChem (CID 59726145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).