2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide

C16H13FN4O — CID 127040562

IUPAC2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1
InChIInChI=1S/C16H13FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)(H2,18,20,21)
InChIKeyFDHGUGPDCVKNFJ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide

2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide (PubChem CID 127040562) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide
PubChem CID127040562
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1
InChIInChI=1S/C16H13FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)(H2,18,20,21)
InChIKeyFDHGUGPDCVKNFJ-UHFFFAOYSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-benzyl-8-fluoroquinazoline-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-benzyl-8-fluoroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide (CID 127040562) is 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide is Nc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1.
What is the InChIKey of 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide?
The InChIKey is FDHGUGPDCVKNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide?
2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide is sourced from PubChem (CID 127040562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).