2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide

C20H18ClN7O — CID 59529629

IUPAC2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(Nc3n[nH]c(C)n3)nc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C20H18ClN7O/c1-11-23-20(28-27-11)26-19-15-8-3-12(10-17(29)22-2)9-16(15)24-18(25-19)13-4-6-14(21)7-5-13/h3-9H,10H2,1-2H3,(H,22,29)(H2,23,24,25,26,27,28)
InChIKeyLUDUPZJWQHNVSY-UHFFFAOYSA-N
MW407.87 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide

2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide (PubChem CID 59529629) has the molecular formula C20H18ClN7O and a molecular weight of 407.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide
PubChem CID59529629
Molecular FormulaC20H18ClN7O
Molecular Weight407.87 g/mol
Exact Mass407.13
IUPAC Name2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(Nc3n[nH]c(C)n3)nc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C20H18ClN7O/c1-11-23-20(28-27-11)26-19-15-8-3-12(10-17(29)22-2)9-16(15)24-18(25-19)13-4-6-14(21)7-5-13/h3-9H,10H2,1-2H3,(H,22,29)(H2,23,24,25,26,27,28)
InChIKeyLUDUPZJWQHNVSY-UHFFFAOYSA-N
XLogP3.41
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10155985
2-(4-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 20626280
2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414079
iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 161196497
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine
CID 10199665
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927698
[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylquinazolin-7-yl]methanesulfinic acid
CID 66806225
2-(5-chloro-2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927767
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
CID 20626480
4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride
CID 122423896
2-(4-aminophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 110472728
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide (CID 59529629) is 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide is CNC(=O)Cc1ccc2c(Nc3n[nH]c(C)n3)nc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide?
The InChIKey is LUDUPZJWQHNVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O/c1-11-23-20(28-27-11)26-19-15-8-3-12(10-17(29)22-2)9-16(15)24-18(25-19)13-4-6-14(21)7-5-13/h3-9H,10H2,1-2H3,(H,22,29)(H2,23,24,25,26,27,28).
What are the key properties of 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide?
2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide has a molecular weight of 407.87 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide is sourced from PubChem (CID 59529629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).