1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

C24H34N6O — CID 126896189

IUPAC1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)C1
InChIInChI=1S/C24H34N6O/c1-19(31)30-10-4-5-20(17-30)16-27-11-13-28(14-12-27)21-6-7-23-22(15-21)24(26-18-25-23)29-8-2-3-9-29/h6-7,15,18,20H,2-5,8-14,16-17H2,1H3
InChIKeyDWQJIVCPKDXOOO-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.61
Rot. Bonds4

About 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 126896189) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID126896189
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)C1
InChIInChI=1S/C24H34N6O/c1-19(31)30-10-4-5-20(17-30)16-27-11-13-28(14-12-27)21-6-7-23-22(15-21)24(26-18-25-23)29-8-2-3-9-29/h6-7,15,18,20H,2-5,8-14,16-17H2,1H3
InChIKeyDWQJIVCPKDXOOO-UHFFFAOYSA-N
XLogP2.61
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (CID 126896189) is 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)C1.
What is the InChIKey of 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is DWQJIVCPKDXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-19(31)30-10-4-5-20(17-30)16-27-11-13-28(14-12-27)21-6-7-23-22(15-21)24(26-18-25-23)29-8-2-3-9-29/h6-7,15,18,20H,2-5,8-14,16-17H2,1H3.
What are the key properties of 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 422.58 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126896189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).