2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile

C20H21N7 — CID 126895692

IUPAC2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ncnc2ccc(N3CCN(c4ncccc4C#N)CC3)cc12
InChIInChI=1S/C20H21N7/c1-25(2)20-17-12-16(5-6-18(17)23-14-24-20)26-8-10-27(11-9-26)19-15(13-21)4-3-7-22-19/h3-7,12,14H,8-11H2,1-2H3
InChIKeyGQOGHUFMVIYFPF-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 126895692) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID126895692
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ncnc2ccc(N3CCN(c4ncccc4C#N)CC3)cc12
InChIInChI=1S/C20H21N7/c1-25(2)20-17-12-16(5-6-18(17)23-14-24-20)26-8-10-27(11-9-26)19-15(13-21)4-3-7-22-19/h3-7,12,14H,8-11H2,1-2H3
InChIKeyGQOGHUFMVIYFPF-UHFFFAOYSA-N
XLogP2.29
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126895922
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
N,N-dimethyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-amine
CID 126895705
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896066
2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139028630
N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895886
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 126895692) is 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile is CN(C)c1ncnc2ccc(N3CCN(c4ncccc4C#N)CC3)cc12.
What is the InChIKey of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is GQOGHUFMVIYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-25(2)20-17-12-16(5-6-18(17)23-14-24-20)26-8-10-27(11-9-26)19-15(13-21)4-3-7-22-19/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 359.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126895692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).