3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline

C19H21N3 — CID 174699396

IUPAC3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline
SMILESCC1CCCN1N1Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C19H21N3/c1-15-8-7-13-21(15)22-14-17-11-5-6-12-18(17)20-19(22)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKeyVPYVUTIYOSTFEO-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.98
Rot. Bonds2

About 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline

3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline (PubChem CID 174699396) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline
PubChem CID174699396
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline
SMILESCC1CCCN1N1Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C19H21N3/c1-15-8-7-13-21(15)22-14-17-11-5-6-12-18(17)20-19(22)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKeyVPYVUTIYOSTFEO-UHFFFAOYSA-N
XLogP3.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline 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 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline?
The IUPAC name of 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline (CID 174699396) is 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline.
What is the SMILES notation for 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline?
The canonical SMILES for 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline is CC1CCCN1N1Cc2ccccc2N=C1c1ccccc1.
What is the InChIKey of 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline?
The InChIKey is VPYVUTIYOSTFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-15-8-7-13-21(15)22-14-17-11-5-6-12-18(17)20-19(22)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3.
What are the key properties of 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline?
3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline has a molecular weight of 291.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-1-yl)-2-phenyl-4H-quinazoline is sourced from PubChem (CID 174699396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).