[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium

C15H18N4O2V — CID 22954242

IUPAC[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
SMILESCOc1cc2ncnc(N3CCN(C=[V])CC3)c2cc1OC
InChIInChI=1S/C15H18N4O2.V/c1-18-4-6-19(7-5-18)15-11-8-13(20-2)14(21-3)9-12(11)16-10-17-15;/h1,8-10H,4-7H2,2-3H3;
InChIKeyOCVHRBGOSOJLLS-UHFFFAOYSA-N
MW337.28 g/mol
LogP1.08
Rot. Bonds4

About [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium

[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium (PubChem CID 22954242) has the molecular formula C15H18N4O2V and a molecular weight of 337.28 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
PubChem CID22954242
Molecular FormulaC15H18N4O2V
Molecular Weight337.28 g/mol
Exact Mass337.09
IUPAC Name[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
SMILESCOc1cc2ncnc(N3CCN(C=[V])CC3)c2cc1OC
InChIInChI=1S/C15H18N4O2.V/c1-18-4-6-19(7-5-18)15-11-8-13(20-2)14(21-3)9-12(11)16-10-17-15;/h1,8-10H,4-7H2,2-3H3;
InChIKeyOCVHRBGOSOJLLS-UHFFFAOYSA-N
XLogP1.08
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium?
The IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium (CID 22954242) is [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium.
What is the SMILES notation for [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium?
The canonical SMILES for [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium is COc1cc2ncnc(N3CCN(C=[V])CC3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium?
The InChIKey is OCVHRBGOSOJLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.V/c1-18-4-6-19(7-5-18)15-11-8-13(20-2)14(21-3)9-12(11)16-10-17-15;/h1,8-10H,4-7H2,2-3H3;.
What are the key properties of [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium?
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium has a molecular weight of 337.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium is sourced from PubChem (CID 22954242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).