N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide

C24H20FN3O — CID 90655954

IUPACN-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1
InChIInChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3
InChIKeyZNOKIBASZIYRPD-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.10
Rot. Bonds5

About N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide

N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide (PubChem CID 90655954) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide
PubChem CID90655954
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1
InChIInChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3
InChIKeyZNOKIBASZIYRPD-UHFFFAOYSA-N
XLogP5.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide (CID 90655954) is N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1.
What is the InChIKey of N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide?
The InChIKey is ZNOKIBASZIYRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide?
N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(2-fluorophenyl)quinazoline-2-carboxamide is sourced from PubChem (CID 90655954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).