N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)

C18H15N3V — CID 58904414

IUPACN-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)
SMILES[H]/[C-]=C/c1[c-]cccc1Nc1ncnc2cc(C)c(C)cc12.[V+2]
InChIInChI=1S/C18H15N3.V/c1-4-14-7-5-6-8-16(14)21-18-15-9-12(2)13(3)10-17(15)19-11-20-18;/h1,4-6,8-11H,2-3H3,(H,19,20,21);/q-2;+2
InChIKeyKEQLICYEFRFEBD-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.23
Rot. Bonds3

About N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)

N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+) (PubChem CID 58904414) has the molecular formula C18H15N3V and a molecular weight of 324.28 g/mol. Its IUPAC name is N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+).

Molecular Properties

Compound NameN-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)
PubChem CID58904414
Molecular FormulaC18H15N3V
Molecular Weight324.28 g/mol
Exact Mass324.07
IUPAC NameN-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)
SMILES[H]/[C-]=C/c1[c-]cccc1Nc1ncnc2cc(C)c(C)cc12.[V+2]
InChIInChI=1S/C18H15N3.V/c1-4-14-7-5-6-8-16(14)21-18-15-9-12(2)13(3)10-17(15)19-11-20-18;/h1,4-6,8-11H,2-3H3,(H,19,20,21);/q-2;+2
InChIKeyKEQLICYEFRFEBD-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
6,7-dimethyl-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;dihydrate
CID 159074222
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol
CID 18685581
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
2,6-dichloro-4-[(6,7-dimethylquinazolin-4-yl)amino]phenol;dihydrate
CID 162053328
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
CID 159999209
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
CID 159200740
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane
CID 142974670
1-[(6,7-dimethylquinazolin-4-yl)amino]naphthalen-2-ol;dihydrate
CID 159185240

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)?
The IUPAC name of N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+) (CID 58904414) is N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+).
What is the SMILES notation for N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)?
The canonical SMILES for N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+) is [H]/[C-]=C/c1[c-]cccc1Nc1ncnc2cc(C)c(C)cc12.[V+2].
What is the InChIKey of N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)?
The InChIKey is KEQLICYEFRFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3.V/c1-4-14-7-5-6-8-16(14)21-18-15-9-12(2)13(3)10-17(15)19-11-20-18;/h1,4-6,8-11H,2-3H3,(H,19,20,21);/q-2;+2.
What are the key properties of N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+)?
N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+) has a molecular weight of 324.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylbenzene-3-id-1-yl)-6,7-dimethylquinazolin-4-amine;vanadium(2+) is sourced from PubChem (CID 58904414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).