N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C27H26FN3O3 — CID 138042136

IUPACN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c3ccccc3n2)o1
InChIInChI=1S/C27H26FN3O3/c1-17-6-9-26(34-17)24-15-21(20-4-2-3-5-23(20)30-24)27(33)29-16-18-7-8-25(22(28)14-18)31-12-10-19(32)11-13-31/h2-9,14-15,19,32H,10-13,16H2,1H3,(H,29,33)
InChIKeyOSFBUECLAWPKEL-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.83
Rot. Bonds5

About N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 138042136) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID138042136
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC NameN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c3ccccc3n2)o1
InChIInChI=1S/C27H26FN3O3/c1-17-6-9-26(34-17)24-15-21(20-4-2-3-5-23(20)30-24)27(33)29-16-18-7-8-25(22(28)14-18)31-12-10-19(32)11-13-31/h2-9,14-15,19,32H,10-13,16H2,1H3,(H,29,33)
InChIKeyOSFBUECLAWPKEL-UHFFFAOYSA-N
XLogP4.83
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1220612
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60579554
2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide
CID 60579710
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94666162
3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 111458172
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 60579615
2-(5-methylfuran-2-yl)-N-morpholin-4-ylquinoline-4-carboxamide
CID 5003008

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 138042136) is N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c3ccccc3n2)o1.
What is the InChIKey of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is OSFBUECLAWPKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-17-6-9-26(34-17)24-15-21(20-4-2-3-5-23(20)30-24)27(33)29-16-18-7-8-25(22(28)14-18)31-12-10-19(32)11-13-31/h2-9,14-15,19,32H,10-13,16H2,1H3,(H,29,33).
What are the key properties of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 138042136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).