[1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid

C18H19FN4O3 — CID 66844580

IUPAC[1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESN#Cc1cc(F)cc2c1ccc(=O)n2CCN1CCC(NC(=O)O)CC1
InChIInChI=1S/C18H19FN4O3/c19-13-9-12(11-20)15-1-2-17(24)23(16(15)10-13)8-7-22-5-3-14(4-6-22)21-18(25)26/h1-2,9-10,14,21H,3-8H2,(H,25,26)
InChIKeyQEQJHKLGWWHJAK-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.74
Rot. Bonds4

About [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid

[1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 66844580) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID66844580
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name[1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESN#Cc1cc(F)cc2c1ccc(=O)n2CCN1CCC(NC(=O)O)CC1
InChIInChI=1S/C18H19FN4O3/c19-13-9-12(11-20)15-1-2-17(24)23(16(15)10-13)8-7-22-5-3-14(4-6-22)21-18(25)26/h1-2,9-10,14,21H,3-8H2,(H,25,26)
InChIKeyQEQJHKLGWWHJAK-UHFFFAOYSA-N
XLogP1.74
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66843618
7-fluoro-2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-5-carbonitrile
CID 15982800
[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid
CID 68610941
1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 118712934
[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 68996430
1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one
CID 77232675
1-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-5,7-difluoroquinolin-2-one
CID 25032262
1-(2-cyano-4-fluorophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 78894638
[1-[(5-cyano-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid
CID 67548902
2-fluoro-5-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 68735240
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
CID 175061198
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(5-fluoro-7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 140541756

Frequently Asked Questions

What is the IUPAC name of [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 66844580) is [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid is N#Cc1cc(F)cc2c1ccc(=O)n2CCN1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is QEQJHKLGWWHJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-13-9-12(11-20)15-1-2-17(24)23(16(15)10-13)8-7-22-5-3-14(4-6-22)21-18(25)26/h1-2,9-10,14,21H,3-8H2,(H,25,26).
What are the key properties of [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 358.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66844580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).