2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile

C22H24N6O2 — CID 71680780

IUPAC2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile
SMILESCOc1cc2nc(CN3CCN(c4ccccc4C#N)CC3)nc(N)c2cc1OC
InChIInChI=1S/C22H24N6O2/c1-29-19-11-16-17(12-20(19)30-2)25-21(26-22(16)24)14-27-7-9-28(10-8-27)18-6-4-3-5-15(18)13-23/h3-6,11-12H,7-10,14H2,1-2H3,(H2,24,25,26)
InChIKeyBOXHLZARFITEJV-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile

2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile (PubChem CID 71680780) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile
PubChem CID71680780
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile
SMILESCOc1cc2nc(CN3CCN(c4ccccc4C#N)CC3)nc(N)c2cc1OC
InChIInChI=1S/C22H24N6O2/c1-29-19-11-16-17(12-20(19)30-2)25-21(26-22(16)24)14-27-7-9-28(10-8-27)18-6-4-3-5-15(18)13-23/h3-6,11-12H,7-10,14H2,1-2H3,(H2,24,25,26)
InChIKeyBOXHLZARFITEJV-UHFFFAOYSA-N
XLogP2.42
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile with MolForge

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Related Compounds

6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
2-[[4-[2-(methoxymethyl)-4-nitrophenyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333579
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
2-(4-but-3-ynylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133453712
2-N-benzyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 66507121
2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 133489031
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 665945
5-chloro-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]benzonitrile
CID 133286179
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 23852101
3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 87015487

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile (CID 71680780) is 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile is COc1cc2nc(CN3CCN(c4ccccc4C#N)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile?
The InChIKey is BOXHLZARFITEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-29-19-11-16-17(12-20(19)30-2)25-21(26-22(16)24)14-27-7-9-28(10-8-27)18-6-4-3-5-15(18)13-23/h3-6,11-12H,7-10,14H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile?
2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile has a molecular weight of 404.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 71680780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).