N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide

C20H16F3N5O — CID 156785667

IUPACN-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3nnnn3c2c1
InChIInChI=1S/C20H16F3N5O/c1-11(2)24-19(29)13-5-8-15-16(10-18-25-26-27-28(18)17(15)9-13)12-3-6-14(7-4-12)20(21,22)23/h3-11H,1-2H3,(H,24,29)
InChIKeyZNFNUZBGZVMAJF-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.10
Rot. Bonds3

About N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide

N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide (PubChem CID 156785667) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide
PubChem CID156785667
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC NameN-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3nnnn3c2c1
InChIInChI=1S/C20H16F3N5O/c1-11(2)24-19(29)13-5-8-15-16(10-18-25-26-27-28(18)17(15)9-13)12-3-6-14(7-4-12)20(21,22)23/h3-11H,1-2H3,(H,24,29)
InChIKeyZNFNUZBGZVMAJF-UHFFFAOYSA-N
XLogP4.10
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide?
The IUPAC name of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide (CID 156785667) is N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide?
The canonical SMILES for N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide is CC(C)NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3nnnn3c2c1.
What is the InChIKey of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide?
The InChIKey is ZNFNUZBGZVMAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-11(2)24-19(29)13-5-8-15-16(10-18-25-26-27-28(18)17(15)9-13)12-3-6-14(7-4-12)20(21,22)23/h3-11H,1-2H3,(H,24,29).
What are the key properties of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide?
N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide is sourced from PubChem (CID 156785667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).