6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide

C16H13FN2O2 — CID 826914

IUPAC6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)c2cc(F)ccc2n1
InChIInChI=1S/C16H13FN2O2/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(20)18-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBFHFMINOCPTLHY-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.21
Rot. Bonds3

About 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide

6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide (PubChem CID 826914) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
PubChem CID826914
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)c2cc(F)ccc2n1
InChIInChI=1S/C16H13FN2O2/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(20)18-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBFHFMINOCPTLHY-UHFFFAOYSA-N
XLogP3.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dibucaine
CID 3025
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
CID 868700
N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2978966
1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CID 453072
2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 903397
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
Methyl 1-(2-(furan-2-yl)quinoline-4-carbonyl)piperidine-4-carboxylate
CID 2420130
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
Cinchoninamide, 2-butoxy-N-(2-(1-pyrrolidinyl)ethyl)-
CID 3051612
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442
N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide
CID 891858

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide (CID 826914) is 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCc2ccco2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide?
The InChIKey is BFHFMINOCPTLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(20)18-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide?
6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 826914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).