6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride

C21H25ClN4O2 — CID 162676134

IUPAC6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(N3CCCC3)nc(Nc3ccccc3C)c2cc1OC.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-8-4-5-9-16(14)22-20-15-12-18(26-2)19(27-3)13-17(15)23-21(24-20)25-10-6-7-11-25;/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,23,24);1H
InChIKeyIABIMGSIKWVYRG-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.72
Rot. Bonds5

About 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride

6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride (PubChem CID 162676134) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride
PubChem CID162676134
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(N3CCCC3)nc(Nc3ccccc3C)c2cc1OC.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-8-4-5-9-16(14)22-20-15-12-18(26-2)19(27-3)13-17(15)23-21(24-20)25-10-6-7-11-25;/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,23,24);1H
InChIKeyIABIMGSIKWVYRG-UHFFFAOYSA-N
XLogP4.72
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride (CID 162676134) is 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride is COc1cc2nc(N3CCCC3)nc(Nc3ccccc3C)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride?
The InChIKey is IABIMGSIKWVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-14-8-4-5-9-16(14)22-20-15-12-18(26-2)19(27-3)13-17(15)23-21(24-20)25-10-6-7-11-25;/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,23,24);1H.
What are the key properties of 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride?
6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 162676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).