N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

C22H20F3N5O — CID 1459667

IUPACN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
SMILESCc1cc2cc(CN(CCc3ccccc3)C(=O)C(F)(F)F)c3nnnn3c2cc1C
InChIInChI=1S/C22H20F3N5O/c1-14-10-17-12-18(20-26-27-28-30(20)19(17)11-15(14)2)13-29(21(31)22(23,24)25)9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyPJCXMQRWKHMZQU-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.03
Rot. Bonds5

About N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (PubChem CID 1459667) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
PubChem CID1459667
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC NameN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
SMILESCc1cc2cc(CN(CCc3ccccc3)C(=O)C(F)(F)F)c3nnnn3c2cc1C
InChIInChI=1S/C22H20F3N5O/c1-14-10-17-12-18(20-26-27-28-30(20)19(17)11-15(14)2)13-29(21(31)22(23,24)25)9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyPJCXMQRWKHMZQU-UHFFFAOYSA-N
XLogP4.03
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (CID 1459667) is N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is Cc1cc2cc(CN(CCc3ccccc3)C(=O)C(F)(F)F)c3nnnn3c2cc1C.
What is the InChIKey of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The InChIKey is PJCXMQRWKHMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c1-14-10-17-12-18(20-26-27-28-30(20)19(17)11-15(14)2)13-29(21(31)22(23,24)25)9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide has a molecular weight of 427.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1459667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).