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

C18H15BrN4O — CID 25160507

IUPAC(2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
SMILESCc1ccc2nc(N)nc(C(=O)N3Cc4ccc(Br)cc4C3)c2c1
InChIInChI=1S/C18H15BrN4O/c1-10-2-5-15-14(6-10)16(22-18(20)21-15)17(24)23-8-11-3-4-13(19)7-12(11)9-23/h2-7H,8-9H2,1H3,(H2,20,21,22)
InChIKeyKVEIQATWLQULBY-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.44
Rot. Bonds1

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

(2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 25160507) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
PubChem CID25160507
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name(2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
SMILESCc1ccc2nc(N)nc(C(=O)N3Cc4ccc(Br)cc4C3)c2c1
InChIInChI=1S/C18H15BrN4O/c1-10-2-5-15-14(6-10)16(22-18(20)21-15)17(24)23-8-11-3-4-13(19)7-12(11)9-23/h2-7H,8-9H2,1H3,(H2,20,21,22)
InChIKeyKVEIQATWLQULBY-UHFFFAOYSA-N
XLogP3.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone (CID 25160507) is (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone is Cc1ccc2nc(N)nc(C(=O)N3Cc4ccc(Br)cc4C3)c2c1.
What is the InChIKey of (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is KVEIQATWLQULBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-10-2-5-15-14(6-10)16(22-18(20)21-15)17(24)23-8-11-3-4-13(19)7-12(11)9-23/h2-7H,8-9H2,1H3,(H2,20,21,22).
What are the key properties of (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone?
(2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 383.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 25160507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).