6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine

C24H18F3N7 — CID 19779318

IUPAC6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(NCc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1
InChIInChI=1S/C24H18F3N7/c1-14-6-11-20-19(12-14)21(30-23(29-20)24(25,26)27)28-13-15-7-9-16(10-8-15)17-4-2-3-5-18(17)22-31-33-34-32-22/h2-12H,13H2,1H3,(H,28,29,30)(H,31,32,33,34)
InChIKeyRODMHUYLLJAQIY-UHFFFAOYSA-N
MW461.45 g/mol
LogP5.42
Rot. Bonds5

About 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine

6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 19779318) has the molecular formula C24H18F3N7 and a molecular weight of 461.45 g/mol. Its IUPAC name is 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID19779318
Molecular FormulaC24H18F3N7
Molecular Weight461.45 g/mol
Exact Mass461.16
IUPAC Name6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(NCc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1
InChIInChI=1S/C24H18F3N7/c1-14-6-11-20-19(12-14)21(30-23(29-20)24(25,26)27)28-13-15-7-9-16(10-8-15)17-4-2-3-5-18(17)22-31-33-34-32-22/h2-12H,13H2,1H3,(H,28,29,30)(H,31,32,33,34)
InChIKeyRODMHUYLLJAQIY-UHFFFAOYSA-N
XLogP5.42
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine
CID 19787149
CID 67885779
CID 67885779
5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 19009708
CID 67751380
CID 67751380
8,8-difluoro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-quinazolin-4-amine
CID 19744182
CID 70340213
CID 70340213
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003570
6-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinoline-4-carboxylic acid
CID 19814451
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 19779318) is 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine is Cc1ccc2nc(C(F)(F)F)nc(NCc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1.
What is the InChIKey of 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is RODMHUYLLJAQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7/c1-14-6-11-20-19(12-14)21(30-23(29-20)24(25,26)27)28-13-15-7-9-16(10-8-15)17-4-2-3-5-18(17)22-31-33-34-32-22/h2-12H,13H2,1H3,(H,28,29,30)(H,31,32,33,34).
What are the key properties of 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 461.45 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 19779318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).