1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline

C20H20F3N7O — CID 135325096

IUPAC1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCc1nnn(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2[C@@H]2CCO[C@H](C)C2)n1
InChIInChI=1S/C20H20F3N7O/c1-11-7-14(5-6-31-11)30-18(10-29-27-12(2)26-28-29)25-17-9-24-16-4-3-13(20(21,22)23)8-15(16)19(17)30/h3-4,8-9,11,14H,5-7,10H2,1-2H3/t11-,14-/m1/s1
InChIKeyLBNLEKLWYDFWQU-BXUZGUMPSA-N
MW431.42 g/mol
LogP3.69
Rot. Bonds3

About 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline

1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline (PubChem CID 135325096) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline
PubChem CID135325096
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC Name1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCc1nnn(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2[C@@H]2CCO[C@H](C)C2)n1
InChIInChI=1S/C20H20F3N7O/c1-11-7-14(5-6-31-11)30-18(10-29-27-12(2)26-28-29)25-17-9-24-16-4-3-13(20(21,22)23)8-15(16)19(17)30/h3-4,8-9,11,14H,5-7,10H2,1-2H3/t11-,14-/m1/s1
InChIKeyLBNLEKLWYDFWQU-BXUZGUMPSA-N
XLogP3.69
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline (CID 135325096) is 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline is Cc1nnn(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2[C@@H]2CCO[C@H](C)C2)n1.
What is the InChIKey of 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
The InChIKey is LBNLEKLWYDFWQU-BXUZGUMPSA-N. The full InChI is InChI=1S/C20H20F3N7O/c1-11-7-14(5-6-31-11)30-18(10-29-27-12(2)26-28-29)25-17-9-24-16-4-3-13(20(21,22)23)8-15(16)19(17)30/h3-4,8-9,11,14H,5-7,10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline has a molecular weight of 431.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methyltetrazol-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 135325096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).