2,4,8-trichloro-7-methoxyquinazoline

C9H5Cl3N2O — CID 170552146

IUPAC2,4,8-trichloro-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(Cl)nc2c1Cl
InChIInChI=1S/C9H5Cl3N2O/c1-15-5-3-2-4-7(6(5)10)13-9(12)14-8(4)11/h2-3H,1H3
InChIKeyKCSNEPMOTCQVJB-UHFFFAOYSA-N
MW263.51 g/mol
LogP3.60
Rot. Bonds1

About 2,4,8-trichloro-7-methoxyquinazoline

2,4,8-trichloro-7-methoxyquinazoline (PubChem CID 170552146) has the molecular formula C9H5Cl3N2O and a molecular weight of 263.51 g/mol. Its IUPAC name is 2,4,8-trichloro-7-methoxyquinazoline.

Molecular Properties

Compound Name2,4,8-trichloro-7-methoxyquinazoline
PubChem CID170552146
Molecular FormulaC9H5Cl3N2O
Molecular Weight263.51 g/mol
Exact Mass261.95
IUPAC Name2,4,8-trichloro-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(Cl)nc2c1Cl
InChIInChI=1S/C9H5Cl3N2O/c1-15-5-3-2-4-7(6(5)10)13-9(12)14-8(4)11/h2-3H,1H3
InChIKeyKCSNEPMOTCQVJB-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,8-dichloro-7-methoxy-3-methylquinoline
CID 171373308
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 22048158
4,8-dichloro-7-methoxyquinoline-3-carbonitrile
CID 12559432
8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride
CID 174823492
7-bromo-2,4-dichloro-6-methoxyquinazoline
CID 155682427
8-chloro-3-(5-ethoxypent-1-ynyl)-2,4,7-trimethoxyquinoline
CID 10155643
2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
CID 171085729
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trichloro-7-methoxyquinazoline?
The IUPAC name of 2,4,8-trichloro-7-methoxyquinazoline (CID 170552146) is 2,4,8-trichloro-7-methoxyquinazoline.
What is the SMILES notation for 2,4,8-trichloro-7-methoxyquinazoline?
The canonical SMILES for 2,4,8-trichloro-7-methoxyquinazoline is COc1ccc2c(Cl)nc(Cl)nc2c1Cl.
What is the InChIKey of 2,4,8-trichloro-7-methoxyquinazoline?
The InChIKey is KCSNEPMOTCQVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O/c1-15-5-3-2-4-7(6(5)10)13-9(12)14-8(4)11/h2-3H,1H3.
What are the key properties of 2,4,8-trichloro-7-methoxyquinazoline?
2,4,8-trichloro-7-methoxyquinazoline has a molecular weight of 263.51 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trichloro-7-methoxyquinazoline is sourced from PubChem (CID 170552146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).