4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine

C23H28N4O2 — CID 11654032

IUPAC4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1cc2ncnc(N3CC(Cc4ccccc4)C(N(C)C)C3)c2cc1OC
InChIInChI=1S/C23H28N4O2/c1-26(2)20-14-27(13-17(20)10-16-8-6-5-7-9-16)23-18-11-21(28-3)22(29-4)12-19(18)24-15-25-23/h5-9,11-12,15,17,20H,10,13-14H2,1-4H3
InChIKeyOEHOEWMYSWNNLN-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.26
Rot. Bonds6

About 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine

4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 11654032) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID11654032
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1cc2ncnc(N3CC(Cc4ccccc4)C(N(C)C)C3)c2cc1OC
InChIInChI=1S/C23H28N4O2/c1-26(2)20-14-27(13-17(20)10-16-8-6-5-7-9-16)23-18-11-21(28-3)22(29-4)12-19(18)24-15-25-23/h5-9,11-12,15,17,20H,10,13-14H2,1-4H3
InChIKeyOEHOEWMYSWNNLN-UHFFFAOYSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine (CID 11654032) is 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine is COc1cc2ncnc(N3CC(Cc4ccccc4)C(N(C)C)C3)c2cc1OC.
What is the InChIKey of 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is OEHOEWMYSWNNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)20-14-27(13-17(20)10-16-8-6-5-7-9-16)23-18-11-21(28-3)22(29-4)12-19(18)24-15-25-23/h5-9,11-12,15,17,20H,10,13-14H2,1-4H3.
What are the key properties of 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 392.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 11654032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).