N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide

C23H20FN3O3 — CID 30769088

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H20FN3O3/c24-17-9-7-16(8-10-17)21-12-11-18(30-21)14-25-22(28)6-3-13-27-15-26-20-5-2-1-4-19(20)23(27)29/h1-2,4-5,7-12,15H,3,6,13-14H2,(H,25,28)
InChIKeySWUHJZPGRAVJDT-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.89
Rot. Bonds7

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 30769088) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID30769088
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H20FN3O3/c24-17-9-7-16(8-10-17)21-12-11-18(30-21)14-25-22(28)6-3-13-27-15-26-20-5-2-1-4-19(20)23(27)29/h1-2,4-5,7-12,15H,3,6,13-14H2,(H,25,28)
InChIKeySWUHJZPGRAVJDT-UHFFFAOYSA-N
XLogP3.89
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
3-(Furan-2-ylmethyl)quinazolin-4-one
CID 332456
3-Benzyl-2-(2-furyl)-3,4-dihydro-4-quinazolinone
CID 563918
2-benzamido-N-(furan-2-ylmethyl)benzamide
CID 1848423
2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 147256078
4(3H)-Quinazolinone, 3-(2-((1,1'-biphenyl)-4-yloxy)ethyl)-
CID 64007
N-Furan-2-ylmethyl-2-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 644437
N-Furan-2-ylmethyl-2-(4-oxo-2-piperidin-1-ylmethyl-4H-quinazolin-3-yl)-acetamide
CID 644713
3-(4-fluorophenyl)-2-{[(2-furylmethyl)amino]methyl}-4(3H)-quinazolinone
CID 849813
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 864523
N-(furan-2-ylmethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 893670
N-(2-furylmethyl)-2-[(3-phenylpropanoyl)amino]benzamide
CID 900537

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 30769088) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is SWUHJZPGRAVJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c24-17-9-7-16(8-10-17)21-12-11-18(30-21)14-25-22(28)6-3-13-27-15-26-20-5-2-1-4-19(20)23(27)29/h1-2,4-5,7-12,15H,3,6,13-14H2,(H,25,28).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 405.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 30769088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).