N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole

C22H22ClFN4OS — CID 145016681

IUPACN-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
SMILESCCc1csc(C)n1.COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C
InChIInChI=1S/C16H13ClFN3O.C6H9NS/c1-9-5-14-11(7-15(9)22-2)16(20-8-19-14)21-10-3-4-13(18)12(17)6-10;1-3-6-4-8-5(2)7-6/h3-8H,1-2H3,(H,19,20,21);4H,3H2,1-2H3
InChIKeyMZXDHLJGMVDZJO-UHFFFAOYSA-N
MW444.96 g/mol
LogP6.50
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole

N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole (PubChem CID 145016681) has the molecular formula C22H22ClFN4OS and a molecular weight of 444.96 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
PubChem CID145016681
Molecular FormulaC22H22ClFN4OS
Molecular Weight444.96 g/mol
Exact Mass444.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
SMILESCCc1csc(C)n1.COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C
InChIInChI=1S/C16H13ClFN3O.C6H9NS/c1-9-5-14-11(7-15(9)22-2)16(20-8-19-14)21-10-3-4-13(18)12(17)6-10;1-3-6-4-8-5(2)7-6/h3-8H,1-2H3,(H,19,20,21);4H,3H2,1-2H3
InChIKeyMZXDHLJGMVDZJO-UHFFFAOYSA-N
XLogP6.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.96
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole with MolForge

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Related Compounds

7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
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
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
N-(3-chloro-4-fluorophenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine
CID 129239945
(E)-1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]hex-3-en-2-one
CID 157375772
N-(3-ethynyl-4-fluorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 58172595

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole (CID 145016681) is N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole is CCc1csc(C)n1.COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole?
The InChIKey is MZXDHLJGMVDZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O.C6H9NS/c1-9-5-14-11(7-15(9)22-2)16(20-8-19-14)21-10-3-4-13(18)12(17)6-10;1-3-6-4-8-5(2)7-6/h3-8H,1-2H3,(H,19,20,21);4H,3H2,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole?
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole has a molecular weight of 444.96 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 145016681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).