N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide

C20H19ClN4O4 — CID 3515101

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O4/c1-12-7-16(17(29-2)8-14(12)21)24-18(26)9-22-19(27)10-25-11-23-15-6-4-3-5-13(15)20(25)28/h3-8,11H,9-10H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyJMCMUUFGMXGJDZ-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.12
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide (PubChem CID 3515101) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
PubChem CID3515101
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O4/c1-12-7-16(17(29-2)8-14(12)21)24-18(26)9-22-19(27)10-25-11-23-15-6-4-3-5-13(15)20(25)28/h3-8,11H,9-10H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyJMCMUUFGMXGJDZ-UHFFFAOYSA-N
XLogP2.12
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N~1~-(2,5-dimethoxyphenyl)-N~2~-[(4-oxoquinazolin-3(4H)-yl)acetyl]glycinamide
CID 3237928
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
N-(5-chloro-2-methoxyphenyl)-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 1085003
N~1~-(5-chloro-2,4-dimethoxyphenyl)-N~1~-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3238155
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135858574
N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15991124
N~1~-(5-chloro-2,4-dimethoxyphenyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3235824
N-(2,5-Dimethoxyphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 11384313
3-(4-Chloro-2-ethoxyphenyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 176508677
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2449887
N-(2-Methoxy-phenyl)-2-(4-oxo-2-piperidin-1-ylmethyl-4H-quinazolin-3-yl)-acetamide
CID 652254
N~1~-(5-chloro-2-methoxyphenyl)-N~1~-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3237377

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide (CID 3515101) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The InChIKey is JMCMUUFGMXGJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-12-7-16(17(29-2)8-14(12)21)24-18(26)9-22-19(27)10-25-11-23-15-6-4-3-5-13(15)20(25)28/h3-8,11H,9-10H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide has a molecular weight of 414.85 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 3515101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).