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

C21H30N6O — CID 126895881

IUPAC1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CN1CCN(c2ccc3ncnc(N(C)C)c3c2)CC1
InChIInChI=1S/C21H30N6O/c1-16(28)27-8-4-5-18(27)14-25-9-11-26(12-10-25)17-6-7-20-19(13-17)21(24(2)3)23-15-22-20/h6-7,13,15,18H,4-5,8-12,14H2,1-3H3
InChIKeyASPUQGAJWZRLSL-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.83
Rot. Bonds4

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

1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 126895881) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID126895881
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CN1CCN(c2ccc3ncnc(N(C)C)c3c2)CC1
InChIInChI=1S/C21H30N6O/c1-16(28)27-8-4-5-18(27)14-25-9-11-26(12-10-25)17-6-7-20-19(13-17)21(24(2)3)23-15-22-20/h6-7,13,15,18H,4-5,8-12,14H2,1-3H3
InChIKeyASPUQGAJWZRLSL-UHFFFAOYSA-N
XLogP1.83
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768
1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126895625
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895865
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895778
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone (CID 126895881) is 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1CN1CCN(c2ccc3ncnc(N(C)C)c3c2)CC1.
What is the InChIKey of 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ASPUQGAJWZRLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-16(28)27-8-4-5-18(27)14-25-9-11-26(12-10-25)17-6-7-20-19(13-17)21(24(2)3)23-15-22-20/h6-7,13,15,18H,4-5,8-12,14H2,1-3H3.
What are the key properties of 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 382.51 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126895881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).