1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone

C20H27N5O2 — CID 126895625

IUPAC1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCN(C)c1ncnc2ccc(N3CCN(C(=O)CC4CCCO4)CC3)cc12
InChIInChI=1S/C20H27N5O2/c1-23(2)20-17-12-15(5-6-18(17)21-14-22-20)24-7-9-25(10-8-24)19(26)13-16-4-3-11-27-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3
InChIKeyKLRQKGHIHJEJIO-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone

1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone (PubChem CID 126895625) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone
PubChem CID126895625
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCN(C)c1ncnc2ccc(N3CCN(C(=O)CC4CCCO4)CC3)cc12
InChIInChI=1S/C20H27N5O2/c1-23(2)20-17-12-15(5-6-18(17)21-14-22-20)24-7-9-25(10-8-24)19(26)13-16-4-3-11-27-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3
InChIKeyKLRQKGHIHJEJIO-UHFFFAOYSA-N
XLogP1.91
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
2-(1,2-benzoxazol-3-yl)-1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethanone
CID 126895637
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126895881
3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895865
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768
6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895937
1-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 170221716
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone (CID 126895625) is 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone is CN(C)c1ncnc2ccc(N3CCN(C(=O)CC4CCCO4)CC3)cc12.
What is the InChIKey of 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone?
The InChIKey is KLRQKGHIHJEJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-23(2)20-17-12-15(5-6-18(17)21-14-22-20)24-7-9-25(10-8-24)19(26)13-16-4-3-11-27-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3.
What are the key properties of 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone?
1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone has a molecular weight of 369.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 126895625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).