7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline

C22H21N3 — CID 20628531

IUPAC7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline
SMILESCN1c2ccccc2C2=NCCCN2C1c1cccc2ccccc12
InChIInChI=1S/C22H21N3/c1-24-20-13-5-4-11-19(20)21-23-14-7-15-25(21)22(24)18-12-6-9-16-8-2-3-10-17(16)18/h2-6,8-13,22H,7,14-15H2,1H3
InChIKeyRJTKFVGMZIKGLI-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.44
Rot. Bonds1

About 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline

7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline (PubChem CID 20628531) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline.

Molecular Properties

Compound Name7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline
PubChem CID20628531
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline
SMILESCN1c2ccccc2C2=NCCCN2C1c1cccc2ccccc12
InChIInChI=1S/C22H21N3/c1-24-20-13-5-4-11-19(20)21-23-14-7-15-25(21)22(24)18-12-6-9-16-8-2-3-10-17(16)18/h2-6,8-13,22H,7,14-15H2,1H3
InChIKeyRJTKFVGMZIKGLI-UHFFFAOYSA-N
XLogP4.44
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]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 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline?
The IUPAC name of 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline (CID 20628531) is 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline.
What is the SMILES notation for 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline?
The canonical SMILES for 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline is CN1c2ccccc2C2=NCCCN2C1c1cccc2ccccc12.
What is the InChIKey of 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline?
The InChIKey is RJTKFVGMZIKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-24-20-13-5-4-11-19(20)21-23-14-7-15-25(21)22(24)18-12-6-9-16-8-2-3-10-17(16)18/h2-6,8-13,22H,7,14-15H2,1H3.
What are the key properties of 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline?
7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline has a molecular weight of 327.43 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline is sourced from PubChem (CID 20628531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).