8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline

C12H14BrClN2 — CID 169154589

IUPAC8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline
SMILESCCc1nc(Cl)c2c(n1)C(Br)=C(C)C(C)C2
InChIInChI=1S/C12H14BrClN2/c1-4-9-15-11-8(12(14)16-9)5-6(2)7(3)10(11)13/h6H,4-5H2,1-3H3
InChIKeyIOXOOKVBNBLKTH-UHFFFAOYSA-N
MW301.62 g/mol
LogP4.01
Rot. Bonds1

About 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline

8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline (PubChem CID 169154589) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline
PubChem CID169154589
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC Name8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline
SMILESCCc1nc(Cl)c2c(n1)C(Br)=C(C)C(C)C2
InChIInChI=1S/C12H14BrClN2/c1-4-9-15-11-8(12(14)16-9)5-6(2)7(3)10(11)13/h6H,4-5H2,1-3H3
InChIKeyIOXOOKVBNBLKTH-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
(5Z)-7-bromo-2,4-dichloro-5-ethylidenequinazolin-6-imine;2,2-difluoro-4-methylhexane
CID 172596607
5-Bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propan-2-ylpyrimidine
CID 66292195
5-Bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine
CID 66292401
5-Bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine
CID 66292402
5-Bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine
CID 66293824
5-Bromo-4-chloro-2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidine
CID 66294027
5-Bromo-4-chloro-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294650
5-Bromo-4-chloro-2-(3,5-difluorophenyl)-6-propan-2-ylpyrimidine
CID 66294859
5-Bromo-4-chloro-2-(4-fluorophenyl)-6-propan-2-ylpyrimidine
CID 66294861
5-Bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-(2-methylpropyl)pyrimidine
CID 80434772
5-Bromo-4-chloro-6-(2-methylpropyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 80435079

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline?
The IUPAC name of 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline (CID 169154589) is 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline is CCc1nc(Cl)c2c(n1)C(Br)=C(C)C(C)C2.
What is the InChIKey of 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline?
The InChIKey is IOXOOKVBNBLKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2/c1-4-9-15-11-8(12(14)16-9)5-6(2)7(3)10(11)13/h6H,4-5H2,1-3H3.
What are the key properties of 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline?
8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline has a molecular weight of 301.62 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-ethyl-6,7-dimethyl-5,6-dihydroquinazoline is sourced from PubChem (CID 169154589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).