7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline

C17H16BrClN2 — CID 151971023

IUPAC7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline
SMILESCC(C)c1ccccc1N1CN=Cc2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H16BrClN2/c1-11(2)13-5-3-4-6-16(13)21-10-20-9-12-7-15(19)14(18)8-17(12)21/h3-9,11H,10H2,1-2H3
InChIKeyUARBLEGPFKUXAR-UHFFFAOYSA-N
MW363.69 g/mol
LogP5.75
Rot. Bonds2

About 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline

7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline (PubChem CID 151971023) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline.

Molecular Properties

Compound Name7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline
PubChem CID151971023
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline
SMILESCC(C)c1ccccc1N1CN=Cc2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H16BrClN2/c1-11(2)13-5-3-4-6-16(13)21-10-20-9-12-7-15(19)14(18)8-17(12)21/h3-9,11H,10H2,1-2H3
InChIKeyUARBLEGPFKUXAR-UHFFFAOYSA-N
XLogP5.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.69
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline?
The IUPAC name of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline (CID 151971023) is 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline.
What is the SMILES notation for 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline?
The canonical SMILES for 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline is CC(C)c1ccccc1N1CN=Cc2cc(Cl)c(Br)cc21.
What is the InChIKey of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline?
The InChIKey is UARBLEGPFKUXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c1-11(2)13-5-3-4-6-16(13)21-10-20-9-12-7-15(19)14(18)8-17(12)21/h3-9,11H,10H2,1-2H3.
What are the key properties of 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline?
7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline has a molecular weight of 363.69 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-1-(2-propan-2-ylphenyl)-2H-quinazoline is sourced from PubChem (CID 151971023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).