2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one

C19H14FN3O2 — CID 166201526

IUPAC2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccc(-c3ccccc3F)o2)nc2ccccc12
InChIInChI=1S/C19H14FN3O2/c20-15-7-3-1-5-13(15)17-10-9-12(25-17)11-21-19-22-16-8-4-2-6-14(16)18(24)23-19/h1-10H,11H2,(H2,21,22,23,24)
InChIKeyRUDYRLWZNCFEQL-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.93
Rot. Bonds4

About 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one

2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one (PubChem CID 166201526) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one
PubChem CID166201526
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccc(-c3ccccc3F)o2)nc2ccccc12
InChIInChI=1S/C19H14FN3O2/c20-15-7-3-1-5-13(15)17-10-9-12(25-17)11-21-19-22-16-8-4-2-6-14(16)18(24)23-19/h1-10H,11H2,(H2,21,22,23,24)
InChIKeyRUDYRLWZNCFEQL-UHFFFAOYSA-N
XLogP3.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one
CID 137266124
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
CID 4726884
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
CID 137264486
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one
CID 137262894
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073
2-chloro-4-[[5-(2-fluorophenyl)furan-2-yl]methylamino]benzoic acid
CID 17058553
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one (CID 166201526) is 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one is O=c1[nH]c(NCc2ccc(-c3ccccc3F)o2)nc2ccccc12.
What is the InChIKey of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one?
The InChIKey is RUDYRLWZNCFEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-15-7-3-1-5-13(15)17-10-9-12(25-17)11-21-19-22-16-8-4-2-6-14(16)18(24)23-19/h1-10H,11H2,(H2,21,22,23,24).
What are the key properties of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one?
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one has a molecular weight of 335.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 166201526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).