N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

C42H31F7N8O2 — CID 144501333

IUPACN-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCC.Fc1ccc2c(Nc3cccc(OC(F)(F)F)c3)nc(-c3cccnc3)nc2c1.Fc1cccc2nc(-c3cccnc3)nc(Nc3cccc(OC(F)F)c3)c12
InChIInChI=1S/C20H12F4N4O.C20H13F3N4O.C2H6/c21-13-6-7-16-17(9-13)27-18(12-3-2-8-25-11-12)28-19(16)26-14-4-1-5-15(10-14)29-20(22,23)24;21-15-7-2-8-16-17(15)19(27-18(26-16)12-4-3-9-24-11-12)25-13-5-1-6-14(10-13)28-20(22)23;1-2/h1-11H,(H,26,27,28);1-11,20H,(H,25,26,27);1-2H3
InChIKeyZYEJYSUEVVSALI-UHFFFAOYSA-N
MW812.75 g/mol
LogP11.68
Rot. Bonds9

About N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 144501333) has the molecular formula C42H31F7N8O2 and a molecular weight of 812.75 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID144501333
Molecular FormulaC42H31F7N8O2
Molecular Weight812.75 g/mol
Exact Mass812.25
IUPAC NameN-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCC.Fc1ccc2c(Nc3cccc(OC(F)(F)F)c3)nc(-c3cccnc3)nc2c1.Fc1cccc2nc(-c3cccnc3)nc(Nc3cccc(OC(F)F)c3)c12
InChIInChI=1S/C20H12F4N4O.C20H13F3N4O.C2H6/c21-13-6-7-16-17(9-13)27-18(12-3-2-8-25-11-12)28-19(16)26-14-4-1-5-15(10-14)29-20(22,23)24;21-15-7-2-8-16-17(15)19(27-18(26-16)12-4-3-9-24-11-12)25-13-5-1-6-14(10-13)28-20(22)23;1-2/h1-11H,(H,26,27,28);1-11,20H,(H,25,26,27);1-2H3
InChIKeyZYEJYSUEVVSALI-UHFFFAOYSA-N
XLogP11.68
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.75
LogP ≤ 511.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

6-[(3-Methoxy-5-trifluoromethylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457342
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
Vuf5574
CID 4046493
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-7-yloxy)pyrimidin-4-amine
CID 23646046
N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 24767909
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
6-[(5-Methoxy-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 457336
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 144501333) is N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is CC.Fc1ccc2c(Nc3cccc(OC(F)(F)F)c3)nc(-c3cccnc3)nc2c1.Fc1cccc2nc(-c3cccnc3)nc(Nc3cccc(OC(F)F)c3)c12.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is ZYEJYSUEVVSALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O.C20H13F3N4O.C2H6/c21-13-6-7-16-17(9-13)27-18(12-3-2-8-25-11-12)28-19(16)26-14-4-1-5-15(10-14)29-20(22,23)24;21-15-7-2-8-16-17(15)19(27-18(26-16)12-4-3-9-24-11-12)25-13-5-1-6-14(10-13)28-20(22)23;1-2/h1-11H,(H,26,27,28);1-11,20H,(H,25,26,27);1-2H3.
What are the key properties of N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 812.75 g/mol, XLogP of 11.68, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-5-fluoro-2-pyridin-3-ylquinazolin-4-amine;ethane;7-fluoro-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 144501333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).