N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine

C20H18ClFN6O — CID 150106082

IUPACN-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine
SMILESCc1nnc(C)n1CCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1
InChIInChI=1S/C20H18ClFN6O/c1-12-26-27-13(2)28(12)7-8-29-15-4-5-16-19(10-15)23-11-24-20(16)25-18-6-3-14(21)9-17(18)22/h3-6,9-11H,7-8H2,1-2H3,(H,23,24,25)
InChIKeyDWGOADIHJHGXDD-UHFFFAOYSA-N
MW412.86 g/mol
LogP4.45
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine (PubChem CID 150106082) has the molecular formula C20H18ClFN6O and a molecular weight of 412.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine
PubChem CID150106082
Molecular FormulaC20H18ClFN6O
Molecular Weight412.86 g/mol
Exact Mass412.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine
SMILESCc1nnc(C)n1CCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1
InChIInChI=1S/C20H18ClFN6O/c1-12-26-27-13(2)28(12)7-8-29-15-4-5-16-19(10-15)23-11-24-20(16)25-18-6-3-14(21)9-17(18)22/h3-6,9-11H,7-8H2,1-2H3,(H,23,24,25)
InChIKeyDWGOADIHJHGXDD-UHFFFAOYSA-N
XLogP4.45
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine with MolForge

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Related Compounds

N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride
CID 22625051
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464
7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine
CID 141171360
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
1-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]pyrrolidin-2-one
CID 18753416
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)-6-nitroquinazolin-4-amine
CID 18753423
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-(4-chloro-2-fluorophenyl)-7-[2-[(2,6-dimethyl-4-pyridinyl)-methylamino]ethoxy]-6-methoxyquinazolin-4-amine
CID 22624991

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine (CID 150106082) is N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine is Cc1nnc(C)n1CCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine?
The InChIKey is DWGOADIHJHGXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN6O/c1-12-26-27-13(2)28(12)7-8-29-15-4-5-16-19(10-15)23-11-24-20(16)25-18-6-3-14(21)9-17(18)22/h3-6,9-11H,7-8H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine has a molecular weight of 412.86 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine is sourced from PubChem (CID 150106082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).