N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide

C22H30N6O2 — CID 126896023

IUPACN-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C22H30N6O2/c29-22(23-15-18-4-3-13-30-18)28-11-9-26(10-12-28)17-5-6-20-19(14-17)21(25-16-24-20)27-7-1-2-8-27/h5-6,14,16,18H,1-4,7-13,15H2,(H,23,29)
InChIKeyCQPASUXPEGNDML-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.24
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide

N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide (PubChem CID 126896023) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
PubChem CID126896023
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C22H30N6O2/c29-22(23-15-18-4-3-13-30-18)28-11-9-26(10-12-28)17-5-6-20-19(14-17)21(25-16-24-20)27-7-1-2-8-27/h5-6,14,16,18H,1-4,7-13,15H2,(H,23,29)
InChIKeyCQPASUXPEGNDML-UHFFFAOYSA-N
XLogP2.24
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126895625
4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105580
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133590
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide
CID 121495825
6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896200

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide (CID 126896023) is N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide is O=C(NCC1CCCO1)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide?
The InChIKey is CQPASUXPEGNDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c29-22(23-15-18-4-3-13-30-18)28-11-9-26(10-12-28)17-5-6-20-19(14-17)21(25-16-24-20)27-7-1-2-8-27/h5-6,14,16,18H,1-4,7-13,15H2,(H,23,29).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide?
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126896023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).