2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide

C17H15FN4O — CID 68506824

IUPAC2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C17H15FN4O/c18-12-7-5-11(6-8-12)9-10-20-16(23)15-13-3-1-2-4-14(13)21-17(19)22-15/h1-8H,9-10H2,(H,20,23)(H2,19,21,22)
InChIKeyQYABYNOMVNAOAO-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide

2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide (PubChem CID 68506824) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
PubChem CID68506824
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C17H15FN4O/c18-12-7-5-11(6-8-12)9-10-20-16(23)15-13-3-1-2-4-14(13)21-17(19)22-15/h1-8H,9-10H2,(H,20,23)(H2,19,21,22)
InChIKeyQYABYNOMVNAOAO-UHFFFAOYSA-N
XLogP2.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769
2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide
CID 68506489
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4203658
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145085
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide (CID 68506824) is 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide is Nc1nc(C(=O)NCCc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide?
The InChIKey is QYABYNOMVNAOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-12-7-5-11(6-8-12)9-10-20-16(23)15-13-3-1-2-4-14(13)21-17(19)22-15/h1-8H,9-10H2,(H,20,23)(H2,19,21,22).
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide?
2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide is sourced from PubChem (CID 68506824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).