3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide

C24H19Cl2N3O4 — CID 170204529

IUPAC3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide
SMILESCOc1ccccc1Cn1cnc2ccc(C)c(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O
InChIInChI=1S/C24H19Cl2N3O4/c1-13-7-8-18-20(21(13)28-23(31)15-9-16(25)22(30)17(26)10-15)24(32)29(12-27-18)11-14-5-3-4-6-19(14)33-2/h3-10,12,30H,11H2,1-2H3,(H,28,31)
InChIKeyKGOPLTXZBZJFHI-UHFFFAOYSA-N
MW484.34 g/mol
LogP5.03
Rot. Bonds5

About 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide

3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide (PubChem CID 170204529) has the molecular formula C24H19Cl2N3O4 and a molecular weight of 484.34 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide
PubChem CID170204529
Molecular FormulaC24H19Cl2N3O4
Molecular Weight484.34 g/mol
Exact Mass483.08
IUPAC Name3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide
SMILESCOc1ccccc1Cn1cnc2ccc(C)c(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O
InChIInChI=1S/C24H19Cl2N3O4/c1-13-7-8-18-20(21(13)28-23(31)15-9-16(25)22(30)17(26)10-15)24(32)29(12-27-18)11-14-5-3-4-6-19(14)33-2/h3-10,12,30H,11H2,1-2H3,(H,28,31)
InChIKeyKGOPLTXZBZJFHI-UHFFFAOYSA-N
XLogP5.03
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.34
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[8-chloro-4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide
CID 163301090
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide
CID 162685775
3,5-dichloro-4-hydroxy-N-[3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide
CID 163301171
3,5-dichloro-N-[2,8-dimethyl-4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide
CID 163301061
3,5-dichloro-N-[3-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 167072074
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4248676
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
5-deuterio-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CID 175898338
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
tert-butyl N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]carbamate
CID 162685776
4,6-dichloro-N-[8-[2,6-dichloro-4-[[4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidin-5-yl]carbamoyl]phenoxy]-4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]quinazolin-5-yl]-5-hydroxypyridine-2-carboxamide;ethane
CID 176688253

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide (CID 170204529) is 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide is COc1ccccc1Cn1cnc2ccc(C)c(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O.
What is the InChIKey of 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide?
The InChIKey is KGOPLTXZBZJFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O4/c1-13-7-8-18-20(21(13)28-23(31)15-9-16(25)22(30)17(26)10-15)24(32)29(12-27-18)11-14-5-3-4-6-19(14)33-2/h3-10,12,30H,11H2,1-2H3,(H,28,31).
What are the key properties of 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide?
3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide has a molecular weight of 484.34 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide is sourced from PubChem (CID 170204529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).