[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine

C14H19N5O2 — CID 103542119

IUPAC[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine
SMILESCOC1CN(c2nc(NN)nc3ccccc23)CC1OC
InChIInChI=1S/C14H19N5O2/c1-20-11-7-19(8-12(11)21-2)13-9-5-3-4-6-10(9)16-14(17-13)18-15/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyINBWLPWVGXEJQH-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.77
Rot. Bonds4

About [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine

[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine (PubChem CID 103542119) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine
PubChem CID103542119
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine
SMILESCOC1CN(c2nc(NN)nc3ccccc23)CC1OC
InChIInChI=1S/C14H19N5O2/c1-20-11-7-19(8-12(11)21-2)13-9-5-3-4-6-10(9)16-14(17-13)18-15/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyINBWLPWVGXEJQH-UHFFFAOYSA-N
XLogP0.77
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646
[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
CID 80902799
[4-(3,4-dimethylpiperazin-1-yl)quinazolin-2-yl]hydrazine
CID 80909446
[4-(4-cyclopropylpiperazin-1-yl)quinazolin-2-yl]hydrazine
CID 80900421
1-(2-hydrazinylquinazolin-4-yl)piperidin-3-ol
CID 80906442
4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one
CID 80915413
4-(3,4-dimethylpyrrolidin-1-yl)-N-methylquinazolin-2-amine
CID 80848720
[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine
CID 114597968
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103542149
[4-(2,5-dimethylmorpholin-4-yl)quinazolin-2-yl]hydrazine
CID 80906218
3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine
CID 103541708
[4-(2,3-dimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine
CID 80908196

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine (CID 103542119) is [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine is COC1CN(c2nc(NN)nc3ccccc23)CC1OC.
What is the InChIKey of [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine?
The InChIKey is INBWLPWVGXEJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-11-7-19(8-12(11)21-2)13-9-5-3-4-6-10(9)16-14(17-13)18-15/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine?
[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine has a molecular weight of 289.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 103542119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).