2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine

C23H22N4 — CID 145371108

IUPAC2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine
SMILESCc1ccc(N2Cc3ccccc3C2)cc1.Cc1ncc2ccncc2n1
InChIInChI=1S/C15H15N.C8H7N3/c1-12-6-8-15(9-7-12)16-10-13-4-2-3-5-14(13)11-16;1-6-10-4-7-2-3-9-5-8(7)11-6/h2-9H,10-11H2,1H3;2-5H,1H3
InChIKeyYPFSJENEBQRUQE-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.85
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine

2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine (PubChem CID 145371108) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine
PubChem CID145371108
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine
SMILESCc1ccc(N2Cc3ccccc3C2)cc1.Cc1ncc2ccncc2n1
InChIInChI=1S/C15H15N.C8H7N3/c1-12-6-8-15(9-7-12)16-10-13-4-2-3-5-14(13)11-16;1-6-10-4-7-2-3-9-5-8(7)11-6/h2-9H,10-11H2,1H3;2-5H,1H3
InChIKeyYPFSJENEBQRUQE-UHFFFAOYSA-N
XLogP4.85
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine (CID 145371108) is 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine is Cc1ccc(N2Cc3ccccc3C2)cc1.Cc1ncc2ccncc2n1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine?
The InChIKey is YPFSJENEBQRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C8H7N3/c1-12-6-8-15(9-7-12)16-10-13-4-2-3-5-14(13)11-16;1-6-10-4-7-2-3-9-5-8(7)11-6/h2-9H,10-11H2,1H3;2-5H,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine?
2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine has a molecular weight of 354.46 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-dihydroisoindole;2-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 145371108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).