1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione

C25H20F2N4O5 — CID 135260228

IUPAC1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)c(F)cc2F)CC1
InChIInChI=1S/C25H20F2N4O5/c26-18-13-19(27)17(23(33)29-7-9-30(10-8-29)24(34)21-6-3-11-36-21)12-15(18)14-31-20-5-2-1-4-16(20)22(32)28-25(31)35/h1-6,11-13H,7-10,14H2,(H,28,32,35)
InChIKeyGBLSBTAWZFZYDN-UHFFFAOYSA-N
MW494.45 g/mol
LogP2.21
Rot. Bonds4

About 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione

1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione (PubChem CID 135260228) has the molecular formula C25H20F2N4O5 and a molecular weight of 494.45 g/mol. Its IUPAC name is 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
PubChem CID135260228
Molecular FormulaC25H20F2N4O5
Molecular Weight494.45 g/mol
Exact Mass494.14
IUPAC Name1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)c(F)cc2F)CC1
InChIInChI=1S/C25H20F2N4O5/c26-18-13-19(27)17(23(33)29-7-9-30(10-8-29)24(34)21-6-3-11-36-21)12-15(18)14-31-20-5-2-1-4-16(20)22(32)28-25(31)35/h1-6,11-13H,7-10,14H2,(H,28,32,35)
InChIKeyGBLSBTAWZFZYDN-UHFFFAOYSA-N
XLogP2.21
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 135260244
1-[[4-fluoro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 71556016
1-[[3-(4-ethoxypiperidine-1-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66548788
1-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66546484
1-[[3-[(3S)-3-ethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 130293181
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
1-[[4-chloro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 66546105
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135777794
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
ethane;1-[[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methyl]quinazoline-2,4-dione
CID 145007728

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione (CID 135260228) is 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione is O=C(c1ccco1)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)c(F)cc2F)CC1.
What is the InChIKey of 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
The InChIKey is GBLSBTAWZFZYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O5/c26-18-13-19(27)17(23(33)29-7-9-30(10-8-29)24(34)21-6-3-11-36-21)12-15(18)14-31-20-5-2-1-4-16(20)22(32)28-25(31)35/h1-6,11-13H,7-10,14H2,(H,28,32,35).
What are the key properties of 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione has a molecular weight of 494.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 135260228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).