4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline

C18H10BrClN2 — CID 121402158

IUPAC4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline
SMILESClc1nc(-c2cccc(Br)c2)c2ccc3ccccc3c2n1
InChIInChI=1S/C18H10BrClN2/c19-13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)22-18(20)21-16/h1-10H
InChIKeyMLVAQBLOFAFCHU-UHFFFAOYSA-N
MW369.65 g/mol
LogP5.87
Rot. Bonds1

About 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline

4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline (PubChem CID 121402158) has the molecular formula C18H10BrClN2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline
PubChem CID121402158
Molecular FormulaC18H10BrClN2
Molecular Weight369.65 g/mol
Exact Mass367.97
IUPAC Name4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline
SMILESClc1nc(-c2cccc(Br)c2)c2ccc3ccccc3c2n1
InChIInChI=1S/C18H10BrClN2/c19-13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)22-18(20)21-16/h1-10H
InChIKeyMLVAQBLOFAFCHU-UHFFFAOYSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.65
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline?
The IUPAC name of 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline (CID 121402158) is 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline.
What is the SMILES notation for 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline?
The canonical SMILES for 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline is Clc1nc(-c2cccc(Br)c2)c2ccc3ccccc3c2n1.
What is the InChIKey of 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline?
The InChIKey is MLVAQBLOFAFCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClN2/c19-13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)22-18(20)21-16/h1-10H.
What are the key properties of 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline?
4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline has a molecular weight of 369.65 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-chlorobenzo[h]quinazoline is sourced from PubChem (CID 121402158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).