6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C24H17Cl2N3 — CID 59489809

IUPAC6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1ncc2c(n1)-c1ccc(-c3ccccc3)cc1C(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C24H17Cl2N3/c25-21-9-7-16(12-22(21)26)19-11-17-13-28-24(27)29-23(17)18-8-6-15(10-20(18)19)14-4-2-1-3-5-14/h1-10,12-13,19H,11H2,(H2,27,28,29)
InChIKeyXNDFWJJVJKRFCM-UHFFFAOYSA-N
MW418.33 g/mol
LogP6.39
Rot. Bonds2

About 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 59489809) has the molecular formula C24H17Cl2N3 and a molecular weight of 418.33 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID59489809
Molecular FormulaC24H17Cl2N3
Molecular Weight418.33 g/mol
Exact Mass417.08
IUPAC Name6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1ncc2c(n1)-c1ccc(-c3ccccc3)cc1C(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C24H17Cl2N3/c25-21-9-7-16(12-22(21)26)19-11-17-13-28-24(27)29-23(17)18-8-6-15(10-20(18)19)14-4-2-1-3-5-14/h1-10,12-13,19H,11H2,(H2,27,28,29)
InChIKeyXNDFWJJVJKRFCM-UHFFFAOYSA-N
XLogP6.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 59489809) is 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is Nc1ncc2c(n1)-c1ccc(-c3ccccc3)cc1C(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is XNDFWJJVJKRFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3/c25-21-9-7-16(12-22(21)26)19-11-17-13-28-24(27)29-23(17)18-8-6-15(10-20(18)19)14-4-2-1-3-5-14/h1-10,12-13,19H,11H2,(H2,27,28,29).
What are the key properties of 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 418.33 g/mol, XLogP of 6.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-8-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 59489809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).