6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline

C26H24N2 — CID 11793166

IUPAC6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESC1=C(c2ccc(CCc3ccccc3)cc2)N2CCCN=C2c2ccccc21
InChIInChI=1S/C26H24N2/c1-2-7-20(8-3-1)11-12-21-13-15-22(16-14-21)25-19-23-9-4-5-10-24(23)26-27-17-6-18-28(25)26/h1-5,7-10,13-16,19H,6,11-12,17-18H2
InChIKeyIDWFDCHPOWAECB-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.44
Rot. Bonds4

About 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline

6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (PubChem CID 11793166) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
PubChem CID11793166
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESC1=C(c2ccc(CCc3ccccc3)cc2)N2CCCN=C2c2ccccc21
InChIInChI=1S/C26H24N2/c1-2-7-20(8-3-1)11-12-21-13-15-22(16-14-21)25-19-23-9-4-5-10-24(23)26-27-17-6-18-28(25)26/h1-5,7-10,13-16,19H,6,11-12,17-18H2
InChIKeyIDWFDCHPOWAECB-UHFFFAOYSA-N
XLogP5.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The IUPAC name of 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (CID 11793166) is 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.
What is the SMILES notation for 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The canonical SMILES for 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is C1=C(c2ccc(CCc3ccccc3)cc2)N2CCCN=C2c2ccccc21.
What is the InChIKey of 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The InChIKey is IDWFDCHPOWAECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-2-7-20(8-3-1)11-12-21-13-15-22(16-14-21)25-19-23-9-4-5-10-24(23)26-27-17-6-18-28(25)26/h1-5,7-10,13-16,19H,6,11-12,17-18H2.
What are the key properties of 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline has a molecular weight of 364.49 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is sourced from PubChem (CID 11793166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).