6,8-dibromo-4-chloro-2-cyclopropylquinazoline

C11H7Br2ClN2 — CID 106584417

IUPAC6,8-dibromo-4-chloro-2-cyclopropylquinazoline
SMILESClc1nc(C2CC2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C11H7Br2ClN2/c12-6-3-7-9(8(13)4-6)15-11(5-1-2-5)16-10(7)14/h3-5H,1-2H2
InChIKeyXLOKBTZYSSIYMR-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.69
Rot. Bonds1

About 6,8-dibromo-4-chloro-2-cyclopropylquinazoline

6,8-dibromo-4-chloro-2-cyclopropylquinazoline (PubChem CID 106584417) has the molecular formula C11H7Br2ClN2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 6,8-dibromo-4-chloro-2-cyclopropylquinazoline.

Molecular Properties

Compound Name6,8-dibromo-4-chloro-2-cyclopropylquinazoline
PubChem CID106584417
Molecular FormulaC11H7Br2ClN2
Molecular Weight362.45 g/mol
Exact Mass359.87
IUPAC Name6,8-dibromo-4-chloro-2-cyclopropylquinazoline
SMILESClc1nc(C2CC2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C11H7Br2ClN2/c12-6-3-7-9(8(13)4-6)15-11(5-1-2-5)16-10(7)14/h3-5H,1-2H2
InChIKeyXLOKBTZYSSIYMR-UHFFFAOYSA-N
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dibromo-4-chloro-2-cyclopropylquinoline
CID 63409162
4,8-dibromo-6-chloro-2-cyclopropylquinazoline
CID 106583966
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid
CID 64918782
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
CID 107960351
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
CID 114590969
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
4-chloro-2-cyclopropylquinazolin-6-ol
CID 106584464
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-chloro-2-cyclopropylquinazoline?
The IUPAC name of 6,8-dibromo-4-chloro-2-cyclopropylquinazoline (CID 106584417) is 6,8-dibromo-4-chloro-2-cyclopropylquinazoline.
What is the SMILES notation for 6,8-dibromo-4-chloro-2-cyclopropylquinazoline?
The canonical SMILES for 6,8-dibromo-4-chloro-2-cyclopropylquinazoline is Clc1nc(C2CC2)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-4-chloro-2-cyclopropylquinazoline?
The InChIKey is XLOKBTZYSSIYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2/c12-6-3-7-9(8(13)4-6)15-11(5-1-2-5)16-10(7)14/h3-5H,1-2H2.
What are the key properties of 6,8-dibromo-4-chloro-2-cyclopropylquinazoline?
6,8-dibromo-4-chloro-2-cyclopropylquinazoline has a molecular weight of 362.45 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-4-chloro-2-cyclopropylquinazoline is sourced from PubChem (CID 106584417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).