5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide

C22H27F2N3O — CID 162615684

IUPAC5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCCCC(C)N1CCCc2cc(-c3ccc(C(=O)NC)nc3)c(C(F)F)cc21
InChIInChI=1S/C22H27F2N3O/c1-4-6-14(2)27-10-5-7-15-11-17(18(21(23)24)12-20(15)27)16-8-9-19(26-13-16)22(28)25-3/h8-9,11-14,21H,4-7,10H2,1-3H3,(H,25,28)
InChIKeyJMLBBYZIVLLJQR-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.99
Rot. Bonds6

About 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide

5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 162615684) has the molecular formula C22H27F2N3O and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID162615684
Molecular FormulaC22H27F2N3O
Molecular Weight387.47 g/mol
Exact Mass387.21
IUPAC Name5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCCCC(C)N1CCCc2cc(-c3ccc(C(=O)NC)nc3)c(C(F)F)cc21
InChIInChI=1S/C22H27F2N3O/c1-4-6-14(2)27-10-5-7-15-11-17(18(21(23)24)12-20(15)27)16-8-9-19(26-13-16)22(28)25-3/h8-9,11-14,21H,4-7,10H2,1-3H3,(H,25,28)
InChIKeyJMLBBYZIVLLJQR-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide (CID 162615684) is 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide is CCCC(C)N1CCCc2cc(-c3ccc(C(=O)NC)nc3)c(C(F)F)cc21.
What is the InChIKey of 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is JMLBBYZIVLLJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O/c1-4-6-14(2)27-10-5-7-15-11-17(18(21(23)24)12-20(15)27)16-8-9-19(26-13-16)22(28)25-3/h8-9,11-14,21H,4-7,10H2,1-3H3,(H,25,28).
What are the key properties of 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-1-pentan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162615684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).