2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline

C15H23N3 — CID 71133473

IUPAC2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCCCc1nc2c(c(N3CCCC3)n1)CCCC2
InChIInChI=1S/C15H23N3/c1-2-7-14-16-13-9-4-3-8-12(13)15(17-14)18-10-5-6-11-18/h2-11H2,1H3
InChIKeyXPYAMXXXGULVHO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds3

About 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline

2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 71133473) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID71133473
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCCCc1nc2c(c(N3CCCC3)n1)CCCC2
InChIInChI=1S/C15H23N3/c1-2-7-14-16-13-9-4-3-8-12(13)15(17-14)18-10-5-6-11-18/h2-11H2,1H3
InChIKeyXPYAMXXXGULVHO-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline (CID 71133473) is 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline is CCCc1nc2c(c(N3CCCC3)n1)CCCC2.
What is the InChIKey of 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is XPYAMXXXGULVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-7-14-16-13-9-4-3-8-12(13)15(17-14)18-10-5-6-11-18/h2-11H2,1H3.
What are the key properties of 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 245.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 71133473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).