[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium

C16H21N5V — CID 59928295

IUPAC[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium
SMILESCNC(=[V])N1CCN(c2ncnc3c(C)c(C)ccc23)CC1
InChIInChI=1S/C16H21N5.V/c1-12-4-5-14-15(13(12)2)18-10-19-16(14)21-8-6-20(7-9-21)11-17-3;/h4-5,10,17H,6-9H2,1-3H3;
InChIKeyPPVJAWKGYAVBAK-UHFFFAOYSA-N
MW334.32 g/mol
LogP1.22
Rot. Bonds3

About [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium

[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium (PubChem CID 59928295) has the molecular formula C16H21N5V and a molecular weight of 334.32 g/mol. Its IUPAC name is [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium.

Molecular Properties

Compound Name[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium
PubChem CID59928295
Molecular FormulaC16H21N5V
Molecular Weight334.32 g/mol
Exact Mass334.12
IUPAC Name[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium
SMILESCNC(=[V])N1CCN(c2ncnc3c(C)c(C)ccc23)CC1
InChIInChI=1S/C16H21N5.V/c1-12-4-5-14-15(13(12)2)18-10-19-16(14)21-8-6-20(7-9-21)11-17-3;/h4-5,10,17H,6-9H2,1-3H3;
InChIKeyPPVJAWKGYAVBAK-UHFFFAOYSA-N
XLogP1.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium
CID 59928286
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline
CID 135101124
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
CID 133387176
4-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 155941395
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(8-methylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 129489930
1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345937
[2-(2,3-dimethylanilino)phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112815437
5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
CID 138005559
7-chloro-4-morpholin-4-ylquinazolin-8-ol
CID 10400664
ethane;1-[4-[7-(2-fluoro-6-hydroxyphenyl)-8-methyl-6-propylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 145329387
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
CID 112843750

Frequently Asked Questions

What is the IUPAC name of [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium?
The IUPAC name of [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium (CID 59928295) is [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium.
What is the SMILES notation for [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium?
The canonical SMILES for [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium is CNC(=[V])N1CCN(c2ncnc3c(C)c(C)ccc23)CC1.
What is the InChIKey of [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium?
The InChIKey is PPVJAWKGYAVBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5.V/c1-12-4-5-14-15(13(12)2)18-10-19-16(14)21-8-6-20(7-9-21)11-17-3;/h4-5,10,17H,6-9H2,1-3H3;.
What are the key properties of [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium?
[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium has a molecular weight of 334.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium is sourced from PubChem (CID 59928295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).