N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

C24H19F2N3O2 — CID 55385131

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H19F2N3O2/c25-24(26)31-18-9-7-16(8-10-18)11-13-28-23(30)20-14-22(17-4-3-12-27-15-17)29-21-6-2-1-5-19(20)21/h1-10,12,14-15,24H,11,13H2,(H,28,30)
InChIKeyHEPRHGKHPDDWAX-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.87
Rot. Bonds7

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 55385131) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID55385131
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H19F2N3O2/c25-24(26)31-18-9-7-16(8-10-18)11-13-28-23(30)20-14-22(17-4-3-12-27-15-17)29-21-6-2-1-5-19(20)21/h1-10,12,14-15,24H,11,13H2,(H,28,30)
InChIKeyHEPRHGKHPDDWAX-UHFFFAOYSA-N
XLogP4.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 45099957
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 55385131) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCCc1ccc(OC(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is HEPRHGKHPDDWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-24(26)31-18-9-7-16(8-10-18)11-13-28-23(30)20-14-22(17-4-3-12-27-15-17)29-21-6-2-1-5-19(20)21/h1-10,12,14-15,24H,11,13H2,(H,28,30).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55385131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).