[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

C25H30N6O4 — CID 71055677

IUPAC[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
SMILESO=C(COC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H30N6O4/c32-23(29-15-13-28(14-16-29)20-5-9-26-10-6-20)18-35-25(34)30-11-7-21(8-12-30)31-17-19-3-1-2-4-22(19)27-24(31)33/h1-6,9-10,21H,7-8,11-18H2,(H,27,33)
InChIKeyMCZJSRJMLCJNPD-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.38
Rot. Bonds4

About [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (PubChem CID 71055677) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
PubChem CID71055677
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
SMILESO=C(COC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H30N6O4/c32-23(29-15-13-28(14-16-29)20-5-9-26-10-6-20)18-35-25(34)30-11-7-21(8-12-30)31-17-19-3-1-2-4-22(19)27-24(31)33/h1-6,9-10,21H,7-8,11-18H2,(H,27,33)
InChIKeyMCZJSRJMLCJNPD-UHFFFAOYSA-N
XLogP2.38
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[2-oxo-2-(4-piperidin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 71055689
(2R)-2-[(3,5-dibromo-4-hydroxyphenyl)methyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione
CID 22945578
4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanal
CID 87696645
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
N-[(2R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 135347330
1-(2-methoxyphenyl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109796
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 71055661
2-amino-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
CID 21102108
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
N-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 71055645
(2R)-N-[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[methanesulfonamido-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methylidene]amino]propanamide
CID 87592251
N-[3-(3,4-diethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide
CID 10326769

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (CID 71055677) is [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is O=C(COC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The InChIKey is MCZJSRJMLCJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c32-23(29-15-13-28(14-16-29)20-5-9-26-10-6-20)18-35-25(34)30-11-7-21(8-12-30)31-17-19-3-1-2-4-22(19)27-24(31)33/h1-6,9-10,21H,7-8,11-18H2,(H,27,33).
What are the key properties of [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 71055677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).