N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine

C25H22N6 — CID 67912264

IUPACN-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine
SMILESCCc1cc(CNc2ccc3ccccc3n2)ccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C25H22N6/c1-2-18-15-17(16-26-24-14-12-19-7-3-6-10-23(19)27-24)11-13-20(18)21-8-4-5-9-22(21)25-28-30-31-29-25/h3-15H,2,16H2,1H3,(H,26,27)(H,28,29,30,31)
InChIKeyWOJXTXFEORPECA-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.26
Rot. Bonds6

About N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine

N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine (PubChem CID 67912264) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine
PubChem CID67912264
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC NameN-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine
SMILESCCc1cc(CNc2ccc3ccccc3n2)ccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C25H22N6/c1-2-18-15-17(16-26-24-14-12-19-7-3-6-10-23(19)27-24)11-13-20(18)21-8-4-5-9-22(21)25-28-30-31-29-25/h3-15H,2,16H2,1H3,(H,26,27)(H,28,29,30,31)
InChIKeyWOJXTXFEORPECA-UHFFFAOYSA-N
XLogP5.26
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2H-tetrazol-5-yl)quinolin-2-amine
CID 175802338
7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 57046645
2,5-diethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57138499
2-methyl-N-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine;hydrate
CID 67835163
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
CID 57119373
N-[5-ethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 19976008
tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
CID 141085923
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol
CID 67751599
2,5,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyridine-3-carboxylic acid;hydrochloride
CID 67909695
N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 118576358

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine?
The IUPAC name of N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine (CID 67912264) is N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine.
What is the SMILES notation for N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine?
The canonical SMILES for N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine is CCc1cc(CNc2ccc3ccccc3n2)ccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine?
The InChIKey is WOJXTXFEORPECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-2-18-15-17(16-26-24-14-12-19-7-3-6-10-23(19)27-24)11-13-20(18)21-8-4-5-9-22(21)25-28-30-31-29-25/h3-15H,2,16H2,1H3,(H,26,27)(H,28,29,30,31).
What are the key properties of N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine?
N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine has a molecular weight of 406.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-amine is sourced from PubChem (CID 67912264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).