1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

C25H25FN4O5 — CID 71556016

IUPAC1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(Cn3c4c(c(=O)[nH]c3=O)CCCC4)ccc2F)CC1
InChIInChI=1S/C25H25FN4O5/c26-19-8-7-16(15-30-20-5-2-1-4-17(20)22(31)27-25(30)34)14-18(19)23(32)28-9-11-29(12-10-28)24(33)21-6-3-13-35-21/h3,6-8,13-14H,1-2,4-5,9-12,15H2,(H,27,31,34)
InChIKeyNRTKRPOVFVVGCO-UHFFFAOYSA-N
MW480.50 g/mol
LogP1.79
Rot. Bonds4

About 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 71556016) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID71556016
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC Name1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(Cn3c4c(c(=O)[nH]c3=O)CCCC4)ccc2F)CC1
InChIInChI=1S/C25H25FN4O5/c26-19-8-7-16(15-30-20-5-2-1-4-17(20)22(31)27-25(30)34)14-18(19)23(32)28-9-11-29(12-10-28)24(33)21-6-3-13-35-21/h3,6-8,13-14H,1-2,4-5,9-12,15H2,(H,27,31,34)
InChIKeyNRTKRPOVFVVGCO-UHFFFAOYSA-N
XLogP1.79
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione with MolForge

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Related Compounds

1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
CID 71556390
1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
CID 135260228
1-[(3,4,5-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 172538064
1-[[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 71555884
1-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66546484
1-[[3-(4-ethoxypiperidine-1-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66548788
3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 41231476
6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 113195390
1-[[3-[(3R)-4-but-2-enyl-3-methylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 158745608
3-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137341082
1-[[3-[(3S)-3-ethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 130293181
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 71556016) is 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is O=C(c1ccco1)N1CCN(C(=O)c2cc(Cn3c4c(c(=O)[nH]c3=O)CCCC4)ccc2F)CC1.
What is the InChIKey of 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is NRTKRPOVFVVGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5/c26-19-8-7-16(15-30-20-5-2-1-4-17(20)22(31)27-25(30)34)14-18(19)23(32)28-9-11-29(12-10-28)24(33)21-6-3-13-35-21/h3,6-8,13-14H,1-2,4-5,9-12,15H2,(H,27,31,34).
What are the key properties of 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 480.50 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 71556016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).