N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide

C18H14Cl2N4O3 — CID 9440401

IUPACN-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl2N4O3/c19-11-5-6-13(20)15(7-11)23-16(25)8-21-17(26)9-24-10-22-14-4-2-1-3-12(14)18(24)27/h1-7,10H,8-9H2,(H,21,26)(H,23,25)
InChIKeyPNUUMBVBSOCDMB-UHFFFAOYSA-N
MW405.24 g/mol
LogP2.46
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide

N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide (PubChem CID 9440401) has the molecular formula C18H14Cl2N4O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
PubChem CID9440401
Molecular FormulaC18H14Cl2N4O3
Molecular Weight405.24 g/mol
Exact Mass404.04
IUPAC NameN-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl2N4O3/c19-11-5-6-13(20)15(7-11)23-16(25)8-21-17(26)9-24-10-22-14-4-2-1-3-12(14)18(24)27/h1-7,10H,8-9H2,(H,21,26)(H,23,25)
InChIKeyPNUUMBVBSOCDMB-UHFFFAOYSA-N
XLogP2.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
N-(2,5-dimethoxyphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 3237928
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 21231739

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide (CID 9440401) is N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The InChIKey is PNUUMBVBSOCDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3/c19-11-5-6-13(20)15(7-11)23-16(25)8-21-17(26)9-24-10-22-14-4-2-1-3-12(14)18(24)27/h1-7,10H,8-9H2,(H,21,26)(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide has a molecular weight of 405.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 9440401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).