[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium

C15H19N5V — CID 59928286

IUPAC[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium
SMILESCNC(=[V])N1CCN(c2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C15H19N5.V/c1-12-3-4-14-13(9-12)15(18-10-17-14)20-7-5-19(6-8-20)11-16-2;/h3-4,9-10,16H,5-8H2,1-2H3;
InChIKeyZUBTYVNSPPBPDB-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.91
Rot. Bonds3

About [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium

[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium (PubChem CID 59928286) has the molecular formula C15H19N5V and a molecular weight of 320.30 g/mol. Its IUPAC name is [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium.

Molecular Properties

Compound Name[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium
PubChem CID59928286
Molecular FormulaC15H19N5V
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium
SMILESCNC(=[V])N1CCN(c2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C15H19N5.V/c1-12-3-4-14-13(9-12)15(18-10-17-14)20-7-5-19(6-8-20)11-16-2;/h3-4,9-10,16H,5-8H2,1-2H3;
InChIKeyZUBTYVNSPPBPDB-UHFFFAOYSA-N
XLogP0.91
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[[4-(7,8-dimethylquinazolin-4-yl)piperazin-1-yl]-(methylamino)methylidene]vanadium
CID 59928295
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
CID 112843750
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
(1S,3R)-3-ethoxy-7-(6-methylquinazolin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97100878
N-benzyl-4-(7-methylquinazolin-4-yl)piperazine-1-carbothioamide
CID 22707538
6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133395119
6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
CID 21002638

Frequently Asked Questions

What is the IUPAC name of [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium?
The IUPAC name of [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium (CID 59928286) is [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium.
What is the SMILES notation for [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium?
The canonical SMILES for [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium is CNC(=[V])N1CCN(c2ncnc3ccc(C)cc23)CC1.
What is the InChIKey of [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium?
The InChIKey is ZUBTYVNSPPBPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.V/c1-12-3-4-14-13(9-12)15(18-10-17-14)20-7-5-19(6-8-20)11-16-2;/h3-4,9-10,16H,5-8H2,1-2H3;.
What are the key properties of [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium?
[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium has a molecular weight of 320.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium is sourced from PubChem (CID 59928286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).