7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide

C19H19FN2O3 — CID 86930224

IUPAC7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCOCc2ccco2)c2ccc(F)cc2n1
InChIInChI=1S/C19H19FN2O3/c1-13-10-17(16-6-5-14(20)11-18(16)22-13)19(23)21-7-3-8-24-12-15-4-2-9-25-15/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,21,23)
InChIKeyMZGBOLLXRJFNAM-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.61
Rot. Bonds7

About 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide (PubChem CID 86930224) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
PubChem CID86930224
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCOCc2ccco2)c2ccc(F)cc2n1
InChIInChI=1S/C19H19FN2O3/c1-13-10-17(16-6-5-14(20)11-18(16)22-13)19(23)21-7-3-8-24-12-15-4-2-9-25-15/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,21,23)
InChIKeyMZGBOLLXRJFNAM-UHFFFAOYSA-N
XLogP3.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 86996640
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489
2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471264
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422325

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide (CID 86930224) is 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCCOCc2ccco2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide?
The InChIKey is MZGBOLLXRJFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-10-17(16-6-5-14(20)11-18(16)22-13)19(23)21-7-3-8-24-12-15-4-2-9-25-15/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,21,23).
What are the key properties of 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 86930224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).