4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine

C14H18N4O2 — CID 103530590

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
SMILESCOC1CN(c2ncnc3cc(N)ccc23)CC1OC
InChIInChI=1S/C14H18N4O2/c1-19-12-6-18(7-13(12)20-2)14-10-4-3-9(15)5-11(10)16-8-17-14/h3-5,8,12-13H,6-7,15H2,1-2H3
InChIKeyOSHQZKFHROKZON-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds3

About 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine

4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine (PubChem CID 103530590) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
PubChem CID103530590
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
SMILESCOC1CN(c2ncnc3cc(N)ccc23)CC1OC
InChIInChI=1S/C14H18N4O2/c1-19-12-6-18(7-13(12)20-2)14-10-4-3-9(15)5-11(10)16-8-17-14/h3-5,8,12-13H,6-7,15H2,1-2H3
InChIKeyOSHQZKFHROKZON-UHFFFAOYSA-N
XLogP1.06
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine (CID 103530590) is 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine is COC1CN(c2ncnc3cc(N)ccc23)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine?
The InChIKey is OSHQZKFHROKZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-6-18(7-13(12)20-2)14-10-4-3-9(15)5-11(10)16-8-17-14/h3-5,8,12-13H,6-7,15H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine has a molecular weight of 274.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine is sourced from PubChem (CID 103530590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).