2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline

C28H25ClN2 — CID 15566238

IUPAC2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline
SMILESClc1ccc2c(c1)C(c1ccccc1)NC(Cc1ccccc1)(Cc1ccccc1)N2
InChIInChI=1S/C28H25ClN2/c29-24-16-17-26-25(18-24)27(23-14-8-3-9-15-23)31-28(30-26,19-21-10-4-1-5-11-21)20-22-12-6-2-7-13-22/h1-18,27,30-31H,19-20H2
InChIKeyHIOIQIZVWGFIDU-UHFFFAOYSA-N
MW424.98 g/mol
LogP6.63
Rot. Bonds5

About 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline

2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline (PubChem CID 15566238) has the molecular formula C28H25ClN2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline.

Molecular Properties

Compound Name2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline
PubChem CID15566238
Molecular FormulaC28H25ClN2
Molecular Weight424.98 g/mol
Exact Mass424.17
IUPAC Name2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline
SMILESClc1ccc2c(c1)C(c1ccccc1)NC(Cc1ccccc1)(Cc1ccccc1)N2
InChIInChI=1S/C28H25ClN2/c29-24-16-17-26-25(18-24)27(23-14-8-3-9-15-23)31-28(30-26,19-21-10-4-1-5-11-21)20-22-12-6-2-7-13-22/h1-18,27,30-31H,19-20H2
InChIKeyHIOIQIZVWGFIDU-UHFFFAOYSA-N
XLogP6.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline?
The IUPAC name of 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline (CID 15566238) is 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline.
What is the SMILES notation for 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline?
The canonical SMILES for 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline is Clc1ccc2c(c1)C(c1ccccc1)NC(Cc1ccccc1)(Cc1ccccc1)N2.
What is the InChIKey of 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline?
The InChIKey is HIOIQIZVWGFIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2/c29-24-16-17-26-25(18-24)27(23-14-8-3-9-15-23)31-28(30-26,19-21-10-4-1-5-11-21)20-22-12-6-2-7-13-22/h1-18,27,30-31H,19-20H2.
What are the key properties of 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline?
2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline has a molecular weight of 424.98 g/mol, XLogP of 6.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline is sourced from PubChem (CID 15566238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).