N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine

C17H16ClN3O3 — CID 11974219

IUPACN-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
InChIInChI=1S/C17H16ClN3O3/c1-22-10-4-5-12(18)13(6-10)21-17-16-14(19-9-20-17)7-11(23-2)8-15(16)24-3/h4-9H,1-3H3,(H,19,20,21)
InChIKeyOCJCJHZUUXLOHA-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.05
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine

N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine (PubChem CID 11974219) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine
PubChem CID11974219
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
InChIInChI=1S/C17H16ClN3O3/c1-22-10-4-5-12(18)13(6-10)21-17-16-14(19-9-20-17)7-11(23-2)8-15(16)24-3/h4-9H,1-3H3,(H,19,20,21)
InChIKeyOCJCJHZUUXLOHA-UHFFFAOYSA-N
XLogP4.05
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine (CID 11974219) is N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine is COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC)c23)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine?
The InChIKey is OCJCJHZUUXLOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-22-10-4-5-12(18)13(6-10)21-17-16-14(19-9-20-17)7-11(23-2)8-15(16)24-3/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine?
N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine has a molecular weight of 345.79 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-5,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 11974219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).