5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide

C26H25FN4O5 — CID 3238720

IUPAC5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCc1ccco1
InChIInChI=1S/C26H25FN4O5/c27-18-10-12-19(13-11-18)29-24(33)17-31-22-8-2-1-7-21(22)25(34)30(26(31)35)14-4-3-9-23(32)28-16-20-6-5-15-36-20/h1-2,5-8,10-13,15H,3-4,9,14,16-17H2,(H,28,32)(H,29,33)
InChIKeyMWYAEFHHGIKWHA-UHFFFAOYSA-N
MW492.51 g/mol
LogP3.02
Rot. Bonds10

About 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide

5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide (PubChem CID 3238720) has the molecular formula C26H25FN4O5 and a molecular weight of 492.51 g/mol. Its IUPAC name is 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
PubChem CID3238720
Molecular FormulaC26H25FN4O5
Molecular Weight492.51 g/mol
Exact Mass492.18
IUPAC Name5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCc1ccco1
InChIInChI=1S/C26H25FN4O5/c27-18-10-12-19(13-11-18)29-24(33)17-31-22-8-2-1-7-21(22)25(34)30(26(31)35)14-4-3-9-23(32)28-16-20-6-5-15-36-20/h1-2,5-8,10-13,15H,3-4,9,14,16-17H2,(H,28,32)(H,29,33)
InChIKeyMWYAEFHHGIKWHA-UHFFFAOYSA-N
XLogP3.02
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide with MolForge

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Related Compounds

N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 661788
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
CID 44298664
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
N-(2-furylmethyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 2265927
N-(2-furylmethyl)-4-[(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
CID 4167318
N-[2-(2-furyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
CID 4273158
4-[[2-(Furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]amino]-4-oxobutanoic acid
CID 4890596
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 656251
3-(Furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 661528

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide (CID 3238720) is 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide is O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCc1ccco1.
What is the InChIKey of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is MWYAEFHHGIKWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O5/c27-18-10-12-19(13-11-18)29-24(33)17-31-22-8-2-1-7-21(22)25(34)30(26(31)35)14-4-3-9-23(32)28-16-20-6-5-15-36-20/h1-2,5-8,10-13,15H,3-4,9,14,16-17H2,(H,28,32)(H,29,33).
What are the key properties of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 492.51 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 3238720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).