1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium

C19H26N2+2 — CID 21135180

IUPAC1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium
SMILESCc1cc2c(c(-c3ccccc3)c1)[N+](C)(C)C[N+](C)(C)C2
InChIInChI=1S/C19H26N2/c1-15-11-17-13-20(2,3)14-21(4,5)19(17)18(12-15)16-9-7-6-8-10-16/h6-12H,13-14H2,1-5H3/q+2
InChIKeyQPMAZQHDRUECBG-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.78
Rot. Bonds1

About 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium

1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium (PubChem CID 21135180) has the molecular formula C19H26N2+2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium.

Molecular Properties

Compound Name1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium
PubChem CID21135180
Molecular FormulaC19H26N2+2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium
SMILESCc1cc2c(c(-c3ccccc3)c1)[N+](C)(C)C[N+](C)(C)C2
InChIInChI=1S/C19H26N2/c1-15-11-17-13-20(2,3)14-21(4,5)19(17)18(12-15)16-9-7-6-8-10-16/h6-12H,13-14H2,1-5H3/q+2
InChIKeyQPMAZQHDRUECBG-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium?
The IUPAC name of 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium (CID 21135180) is 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium.
What is the SMILES notation for 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium?
The canonical SMILES for 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium is Cc1cc2c(c(-c3ccccc3)c1)[N+](C)(C)C[N+](C)(C)C2.
What is the InChIKey of 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium?
The InChIKey is QPMAZQHDRUECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-11-17-13-20(2,3)14-21(4,5)19(17)18(12-15)16-9-7-6-8-10-16/h6-12H,13-14H2,1-5H3/q+2.
What are the key properties of 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium?
1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium has a molecular weight of 282.43 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium is sourced from PubChem (CID 21135180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).