7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine

C15H10Cl2FN3O — CID 19001458

IUPAC7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1Cl
InChIInChI=1S/C15H10Cl2FN3O/c1-22-14-5-9-13(6-11(14)17)19-7-20-15(9)21-8-2-3-12(18)10(16)4-8/h2-7H,1H3,(H,19,20,21)
InChIKeySDQQDMBKBSXCOL-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.83
Rot. Bonds3

About 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine

7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 19001458) has the molecular formula C15H10Cl2FN3O and a molecular weight of 338.17 g/mol. Its IUPAC name is 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID19001458
Molecular FormulaC15H10Cl2FN3O
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1Cl
InChIInChI=1S/C15H10Cl2FN3O/c1-22-14-5-9-13(6-11(14)17)19-7-20-15(9)21-8-2-3-12(18)10(16)4-8/h2-7H,1H3,(H,19,20,21)
InChIKeySDQQDMBKBSXCOL-UHFFFAOYSA-N
XLogP4.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N-(3-chloro-4-fluorophenyl)-6-[2-(dimethylamino)ethyl]-7-methoxyquinazolin-4-amine
CID 54366101
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 10216011
N-(3-chloro-4-fluorophenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine
CID 129239945
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
CID 145016681
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
3-bromo-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]propanamide
CID 141238309
6-(4-anilinocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 69204918

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine (CID 19001458) is 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine is COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1Cl.
What is the InChIKey of 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is SDQQDMBKBSXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O/c1-22-14-5-9-13(6-11(14)17)19-7-20-15(9)21-8-2-3-12(18)10(16)4-8/h2-7H,1H3,(H,19,20,21).
What are the key properties of 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine?
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 338.17 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 19001458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).