2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline

C19H19N3O — CID 731359

IUPAC2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
SMILESCOc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H19N3O/c1-23-15-10-8-14(9-11-15)18-20-17-7-3-2-6-16(17)19(21-18)22-12-4-5-13-22/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyVLJHDAQMZWPVON-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.91
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline

2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline (PubChem CID 731359) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
PubChem CID731359
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
SMILESCOc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H19N3O/c1-23-15-10-8-14(9-11-15)18-20-17-7-3-2-6-16(17)19(21-18)22-12-4-5-13-22/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyVLJHDAQMZWPVON-UHFFFAOYSA-N
XLogP3.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline (CID 731359) is 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline is COc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline?
The InChIKey is VLJHDAQMZWPVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-23-15-10-8-14(9-11-15)18-20-17-7-3-2-6-16(17)19(21-18)22-12-4-5-13-22/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline?
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline has a molecular weight of 305.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 731359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).