1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione

C26H26ClFN4O4 — CID 135260244

IUPAC1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
SMILESO=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)c(Cl)cc1F)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H26ClFN4O4/c27-20-14-21(28)19(25(35)31-11-9-30(10-12-31)24(34)16-5-1-2-6-16)13-17(20)15-32-22-8-4-3-7-18(22)23(33)29-26(32)36/h3-4,7-8,13-14,16H,1-2,5-6,9-12,15H2,(H,29,33,36)
InChIKeyCUVFPBDGSABOFV-UHFFFAOYSA-N
MW512.97 g/mol
LogP3.01
Rot. Bonds4

About 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione

1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione (PubChem CID 135260244) has the molecular formula C26H26ClFN4O4 and a molecular weight of 512.97 g/mol. Its IUPAC name is 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
PubChem CID135260244
Molecular FormulaC26H26ClFN4O4
Molecular Weight512.97 g/mol
Exact Mass512.16
IUPAC Name1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
SMILESO=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)c(Cl)cc1F)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H26ClFN4O4/c27-20-14-21(28)19(25(35)31-11-9-30(10-12-31)24(34)16-5-1-2-6-16)13-17(20)15-32-22-8-4-3-7-18(22)23(33)29-26(32)36/h3-4,7-8,13-14,16H,1-2,5-6,9-12,15H2,(H,29,33,36)
InChIKeyCUVFPBDGSABOFV-UHFFFAOYSA-N
XLogP3.01
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.97
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[[2,4-difluoro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
CID 135260228
1-[[4-chloro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 66546105
1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione
CID 165015888
1-[[3-(4-ethoxypiperidine-1-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66548788
1-[[3-[(3S)-3-ethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 130293181
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36513690
1-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66546484
1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione (CID 135260244) is 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione is O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)c(Cl)cc1F)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
The InChIKey is CUVFPBDGSABOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O4/c27-20-14-21(28)19(25(35)31-11-9-30(10-12-31)24(34)16-5-1-2-6-16)13-17(20)15-32-22-8-4-3-7-18(22)23(33)29-26(32)36/h3-4,7-8,13-14,16H,1-2,5-6,9-12,15H2,(H,29,33,36).
What are the key properties of 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione?
1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione has a molecular weight of 512.97 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 135260244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).