2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide

C16H14N4O2 — CID 24749593

IUPAC2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C16H14N4O2/c1-22-11-8-6-10(7-9-11)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20)
InChIKeyFZUBHKFEMWTARP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide

2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide (PubChem CID 24749593) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide
PubChem CID24749593
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C16H14N4O2/c1-22-11-8-6-10(7-9-11)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20)
InChIKeyFZUBHKFEMWTARP-UHFFFAOYSA-N
XLogP2.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide (CID 24749593) is 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide is COc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1.
What is the InChIKey of 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide?
The InChIKey is FZUBHKFEMWTARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-11-8-6-10(7-9-11)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide?
2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxyphenyl)quinazoline-4-carboxamide is sourced from PubChem (CID 24749593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).