2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline

C25H18Cl2N2O — CID 11838916

IUPAC2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C25H18Cl2N2O/c1-30-20-11-13-21-17(14-20)6-12-22-23(15-2-7-18(26)8-3-15)28-25(29-24(21)22)16-4-9-19(27)10-5-16/h2-5,7-11,13-14H,6,12H2,1H3
InChIKeyYATXKXFJEHQJHO-UHFFFAOYSA-N
MW433.34 g/mol
LogP6.89
Rot. Bonds3

About 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline

2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline (PubChem CID 11838916) has the molecular formula C25H18Cl2N2O and a molecular weight of 433.34 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline
PubChem CID11838916
Molecular FormulaC25H18Cl2N2O
Molecular Weight433.34 g/mol
Exact Mass432.08
IUPAC Name2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C25H18Cl2N2O/c1-30-20-11-13-21-17(14-20)6-12-22-23(15-2-7-18(26)8-3-15)28-25(29-24(21)22)16-4-9-19(27)10-5-16/h2-5,7-11,13-14H,6,12H2,1H3
InChIKeyYATXKXFJEHQJHO-UHFFFAOYSA-N
XLogP6.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline (CID 11838916) is 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline is COc1ccc2c(c1)CCc1c(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)nc1-2.
What is the InChIKey of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is YATXKXFJEHQJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O/c1-30-20-11-13-21-17(14-20)6-12-22-23(15-2-7-18(26)8-3-15)28-25(29-24(21)22)16-4-9-19(27)10-5-16/h2-5,7-11,13-14H,6,12H2,1H3.
What are the key properties of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 433.34 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 11838916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).