2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide

C17H16N4O — CID 3784845

IUPAC2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide
SMILESCc1ccc2nc(NCC(N)=O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C17H16N4O/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)21-17(20-14)19-10-15(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyMQTVARDHXRJYAP-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.50
Rot. Bonds4

About 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide

2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide (PubChem CID 3784845) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide
PubChem CID3784845
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide
SMILESCc1ccc2nc(NCC(N)=O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C17H16N4O/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)21-17(20-14)19-10-15(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyMQTVARDHXRJYAP-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide?
The IUPAC name of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide (CID 3784845) is 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide?
The canonical SMILES for 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide is Cc1ccc2nc(NCC(N)=O)nc(-c3ccccc3)c2c1.
What is the InChIKey of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide?
The InChIKey is MQTVARDHXRJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)21-17(20-14)19-10-15(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide?
2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide is sourced from PubChem (CID 3784845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).