N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide

C17H16N4O2 — CID 24962796

IUPACN-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide
SMILESCOc1nc(N)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12
InChIInChI=1S/C17H16N4O2/c1-10(22)19-13-6-3-11(4-7-13)12-5-8-15-14(9-12)16(23-2)21-17(18)20-15/h3-9H,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyNHEYYIIRKAKFAP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.85
Rot. Bonds3

About N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide

N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide (PubChem CID 24962796) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide
PubChem CID24962796
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide
SMILESCOc1nc(N)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12
InChIInChI=1S/C17H16N4O2/c1-10(22)19-13-6-3-11(4-7-13)12-5-8-15-14(9-12)16(23-2)21-17(18)20-15/h3-9H,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyNHEYYIIRKAKFAP-UHFFFAOYSA-N
XLogP2.85
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide (CID 24962796) is N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide is COc1nc(N)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12.
What is the InChIKey of N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide?
The InChIKey is NHEYYIIRKAKFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10(22)19-13-6-3-11(4-7-13)12-5-8-15-14(9-12)16(23-2)21-17(18)20-15/h3-9H,1-2H3,(H,19,22)(H2,18,20,21).
What are the key properties of N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide?
N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide is sourced from PubChem (CID 24962796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).