N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide

C25H24ClN3O5 — CID 18887273

IUPACN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccccc2C)cc1OC
InChIInChI=1S/C25H24ClN3O5/c1-15-6-4-5-7-20(15)34-14-23(30)28-29-24(16-8-11-21(32-2)22(12-16)33-3)27-19-10-9-17(26)13-18(19)25(29)31/h4-13,24,27H,14H2,1-3H3,(H,28,30)
InChIKeyAOZFFHRWOSSGSI-UHFFFAOYSA-N
MW481.94 g/mol
LogP4.34
Rot. Bonds7

About N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide

N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 18887273) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID18887273
Molecular FormulaC25H24ClN3O5
Molecular Weight481.94 g/mol
Exact Mass481.14
IUPAC NameN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccccc2C)cc1OC
InChIInChI=1S/C25H24ClN3O5/c1-15-6-4-5-7-20(15)34-14-23(30)28-29-24(16-8-11-21(32-2)22(12-16)33-3)27-19-10-9-17(26)13-18(19)25(29)31/h4-13,24,27H,14H2,1-3H3,(H,28,30)
InChIKeyAOZFFHRWOSSGSI-UHFFFAOYSA-N
XLogP4.34
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide (CID 18887273) is N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide is COc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccccc2C)cc1OC.
What is the InChIKey of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is AOZFFHRWOSSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-15-6-4-5-7-20(15)34-14-23(30)28-29-24(16-8-11-21(32-2)22(12-16)33-3)27-19-10-9-17(26)13-18(19)25(29)31/h4-13,24,27H,14H2,1-3H3,(H,28,30).
What are the key properties of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 481.94 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 18887273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).