N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide

C19H14FN3O3 — CID 664377

IUPACN-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccco1
InChIInChI=1S/C19H14FN3O3/c20-13-5-3-11(4-6-13)12-8-15-14(16(24)9-12)10-21-19(22-15)23-18(25)17-2-1-7-26-17/h1-7,10,12H,8-9H2,(H,21,22,23,25)
InChIKeyICJYOKVWLOBNRM-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.37
Rot. Bonds3

About N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide

N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide (PubChem CID 664377) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
PubChem CID664377
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC NameN-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccco1
InChIInChI=1S/C19H14FN3O3/c20-13-5-3-11(4-6-13)12-8-15-14(16(24)9-12)10-21-19(22-15)23-18(25)17-2-1-7-26-17/h1-7,10,12H,8-9H2,(H,21,22,23,25)
InChIKeyICJYOKVWLOBNRM-UHFFFAOYSA-N
XLogP3.37
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide (CID 664377) is N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide is O=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccco1.
What is the InChIKey of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
The InChIKey is ICJYOKVWLOBNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-13-5-3-11(4-6-13)12-8-15-14(16(24)9-12)10-21-19(22-15)23-18(25)17-2-1-7-26-17/h1-7,10,12H,8-9H2,(H,21,22,23,25).
What are the key properties of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 664377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).