N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide

C17H15ClN4O2 — CID 110437127

IUPACN-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-24-15-7-6-11(8-13(15)18)22-16(23)9-19-17-12-4-2-3-5-14(12)20-10-21-17/h2-8,10H,9H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyUMNYTGHHUWQGEK-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.34
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide (PubChem CID 110437127) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide
PubChem CID110437127
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-24-15-7-6-11(8-13(15)18)22-16(23)9-19-17-12-4-2-3-5-14(12)20-10-21-17/h2-8,10H,9H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyUMNYTGHHUWQGEK-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
N-(3-chloro-4-methoxyphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812610
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide (CID 110437127) is N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide is COc1ccc(NC(=O)CNc2ncnc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide?
The InChIKey is UMNYTGHHUWQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-24-15-7-6-11(8-13(15)18)22-16(23)9-19-17-12-4-2-3-5-14(12)20-10-21-17/h2-8,10H,9H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide has a molecular weight of 342.79 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide is sourced from PubChem (CID 110437127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).