N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide

C19H19ClN4O2 — CID 133345243

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2cccc(C)c12
InChIInChI=1S/C19H19ClN4O2/c1-12-5-4-6-14-18(12)19(22-11-21-14)24(2)10-17(25)23-15-9-13(20)7-8-16(15)26-3/h4-9,11H,10H2,1-3H3,(H,23,25)
InChIKeyHTVAHKPPJJCYHB-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.68
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide (PubChem CID 133345243) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide
PubChem CID133345243
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2cccc(C)c12
InChIInChI=1S/C19H19ClN4O2/c1-12-5-4-6-14-18(12)19(22-11-21-14)24(2)10-17(25)23-15-9-13(20)7-8-16(15)26-3/h4-9,11H,10H2,1-3H3,(H,23,25)
InChIKeyHTVAHKPPJJCYHB-UHFFFAOYSA-N
XLogP3.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide (CID 133345243) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2cccc(C)c12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide?
The InChIKey is HTVAHKPPJJCYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-5-4-6-14-18(12)19(22-11-21-14)24(2)10-17(25)23-15-9-13(20)7-8-16(15)26-3/h4-9,11H,10H2,1-3H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide has a molecular weight of 370.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 133345243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).