N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide

C18H21FN4O2 — CID 56812131

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(N)=O)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C18H21FN4O2/c1-11-8-15(14-3-2-12(19)9-16(14)21-11)18(25)22-13-4-6-23(7-5-13)10-17(20)24/h2-3,8-9,13H,4-7,10H2,1H3,(H2,20,24)(H,22,25)
InChIKeyAKGCXGWDWRGGPZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.36
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 56812131) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID56812131
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(N)=O)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C18H21FN4O2/c1-11-8-15(14-3-2-12(19)9-16(14)21-11)18(25)22-13-4-6-23(7-5-13)10-17(20)24/h2-3,8-9,13H,4-7,10H2,1H3,(H2,20,24)(H,22,25)
InChIKeyAKGCXGWDWRGGPZ-UHFFFAOYSA-N
XLogP1.36
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 56812131) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)c2ccc(F)cc2n1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is AKGCXGWDWRGGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11-8-15(14-3-2-12(19)9-16(14)21-11)18(25)22-13-4-6-23(7-5-13)10-17(20)24/h2-3,8-9,13H,4-7,10H2,1H3,(H2,20,24)(H,22,25).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 56812131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).