1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione

C29H26FN3O3 — CID 46247517

IUPAC1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C29H26FN3O3/c30-25-12-6-4-10-23(25)20-33-26-13-7-5-11-24(26)28(35)32(29(33)36)19-16-27(34)31-17-14-22(15-18-31)21-8-2-1-3-9-21/h1-14H,15-20H2
InChIKeyZZBYAEBFGKSDJF-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.06
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione

1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione (PubChem CID 46247517) has the molecular formula C29H26FN3O3 and a molecular weight of 483.54 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione
PubChem CID46247517
Molecular FormulaC29H26FN3O3
Molecular Weight483.54 g/mol
Exact Mass483.20
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C29H26FN3O3/c30-25-12-6-4-10-23(25)20-33-26-13-7-5-11-24(26)28(35)32(29(33)36)19-16-27(34)31-17-14-22(15-18-31)21-8-2-1-3-9-21/h1-14H,15-20H2
InChIKeyZZBYAEBFGKSDJF-UHFFFAOYSA-N
XLogP4.06
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2,4-dioxo-3-[4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazolin-1-yl]acetamide
CID 46247598
N-(2-chloro-4-methylphenyl)-2-[2,4-dioxo-3-[4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazolin-1-yl]acetamide
CID 46247597
3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione
CID 155899884
1-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 167899736
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 46247472
2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide
CID 150400107
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429620
3,7-dimethyl-1-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]purine-2,6-dione
CID 38295649
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289756

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione (CID 46247517) is 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione is O=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione?
The InChIKey is ZZBYAEBFGKSDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O3/c30-25-12-6-4-10-23(25)20-33-26-13-7-5-11-24(26)28(35)32(29(33)36)19-16-27(34)31-17-14-22(15-18-31)21-8-2-1-3-9-21/h1-14H,15-20H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione?
1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione has a molecular weight of 483.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]quinazoline-2,4-dione is sourced from PubChem (CID 46247517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).