N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide

C18H13F4N3O2 — CID 166200461

IUPACN-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cccc2ncccc12
InChIInChI=1S/C18H13F4N3O2/c19-17(20)18(21,22)10-27-15-9-11(6-8-24-15)25-16(26)13-3-1-5-14-12(13)4-2-7-23-14/h1-9,17H,10H2,(H,24,25,26)
InChIKeyYHYZSCGXHDTCOC-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide

N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide (PubChem CID 166200461) has the molecular formula C18H13F4N3O2 and a molecular weight of 379.31 g/mol. Its IUPAC name is N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide
PubChem CID166200461
Molecular FormulaC18H13F4N3O2
Molecular Weight379.31 g/mol
Exact Mass379.09
IUPAC NameN-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cccc2ncccc12
InChIInChI=1S/C18H13F4N3O2/c19-17(20)18(21,22)10-27-15-9-11(6-8-24-15)25-16(26)13-3-1-5-14-12(13)4-2-7-23-14/h1-9,17H,10H2,(H,24,25,26)
InChIKeyYHYZSCGXHDTCOC-UHFFFAOYSA-N
XLogP4.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-5-carboxamide
CID 166209151
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
CID 122145334
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide (CID 166200461) is N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide is O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cccc2ncccc12.
What is the InChIKey of N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide?
The InChIKey is YHYZSCGXHDTCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2/c19-17(20)18(21,22)10-27-15-9-11(6-8-24-15)25-16(26)13-3-1-5-14-12(13)4-2-7-23-14/h1-9,17H,10H2,(H,24,25,26).
What are the key properties of N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide?
N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide has a molecular weight of 379.31 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide is sourced from PubChem (CID 166200461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).