(2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone

C17H12BrClN4O — CID 68509111

IUPAC(2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccc(Br)cc3C2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H12BrClN4O/c18-11-2-1-9-7-23(8-10(9)5-11)16(24)15-13-6-12(19)3-4-14(13)21-17(20)22-15/h1-6H,7-8H2,(H2,20,21,22)
InChIKeyCRXSJKAMQVGOFW-UHFFFAOYSA-N
MW403.67 g/mol
LogP3.78
Rot. Bonds1

About (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone

(2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 68509111) has the molecular formula C17H12BrClN4O and a molecular weight of 403.67 g/mol. Its IUPAC name is (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
PubChem CID68509111
Molecular FormulaC17H12BrClN4O
Molecular Weight403.67 g/mol
Exact Mass401.99
IUPAC Name(2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccc(Br)cc3C2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H12BrClN4O/c18-11-2-1-9-7-23(8-10(9)5-11)16(24)15-13-6-12(19)3-4-14(13)21-17(20)22-15/h1-6H,7-8H2,(H2,20,21,22)
InChIKeyCRXSJKAMQVGOFW-UHFFFAOYSA-N
XLogP3.78
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone (CID 68509111) is (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone is Nc1nc(C(=O)N2Cc3ccc(Br)cc3C2)c2cc(Cl)ccc2n1.
What is the InChIKey of (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is CRXSJKAMQVGOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN4O/c18-11-2-1-9-7-23(8-10(9)5-11)16(24)15-13-6-12(19)3-4-14(13)21-17(20)22-15/h1-6H,7-8H2,(H2,20,21,22).
What are the key properties of (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
(2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 403.67 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 68509111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).