N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide

C20H13F7N2O — CID 134850050

IUPACN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)c3cccnc23)c1
InChIInChI=1S/C20H13F7N2O/c1-11-4-2-5-12(10-11)17(30)29-15-8-7-14(13-6-3-9-28-16(13)15)18(21,19(22,23)24)20(25,26)27/h2-10H,1H3,(H,29,30)
InChIKeyQIFISHBJWJBQGE-UHFFFAOYSA-N
MW430.32 g/mol
LogP6.08
Rot. Bonds3

About N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide

N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide (PubChem CID 134850050) has the molecular formula C20H13F7N2O and a molecular weight of 430.32 g/mol. Its IUPAC name is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide
PubChem CID134850050
Molecular FormulaC20H13F7N2O
Molecular Weight430.32 g/mol
Exact Mass430.09
IUPAC NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)c3cccnc23)c1
InChIInChI=1S/C20H13F7N2O/c1-11-4-2-5-12(10-11)17(30)29-15-8-7-14(13-6-3-9-28-16(13)15)18(21,19(22,23)24)20(25,26)27/h2-10H,1H3,(H,29,30)
InChIKeyQIFISHBJWJBQGE-UHFFFAOYSA-N
XLogP6.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.32
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide?
The IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide (CID 134850050) is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)c3cccnc23)c1.
What is the InChIKey of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide?
The InChIKey is QIFISHBJWJBQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F7N2O/c1-11-4-2-5-12(10-11)17(30)29-15-8-7-14(13-6-3-9-28-16(13)15)18(21,19(22,23)24)20(25,26)27/h2-10H,1H3,(H,29,30).
What are the key properties of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide?
N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide has a molecular weight of 430.32 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-3-methylbenzamide is sourced from PubChem (CID 134850050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).