N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide

C20H21FN4O — CID 127358888

IUPACN-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(F)cc2c(N3CCC(NC(=O)C4CC4)CC3)c(C#N)cnc12
InChIInChI=1S/C20H21FN4O/c1-12-8-15(21)9-17-18(12)23-11-14(10-22)19(17)25-6-4-16(5-7-25)24-20(26)13-2-3-13/h8-9,11,13,16H,2-7H2,1H3,(H,24,26)
InChIKeyVKVBXDAKWJRVQS-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.05
Rot. Bonds3

About N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 127358888) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID127358888
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(F)cc2c(N3CCC(NC(=O)C4CC4)CC3)c(C#N)cnc12
InChIInChI=1S/C20H21FN4O/c1-12-8-15(21)9-17-18(12)23-11-14(10-22)19(17)25-6-4-16(5-7-25)24-20(26)13-2-3-13/h8-9,11,13,16H,2-7H2,1H3,(H,24,26)
InChIKeyVKVBXDAKWJRVQS-UHFFFAOYSA-N
XLogP3.05
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (CID 127358888) is N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide is Cc1cc(F)cc2c(N3CCC(NC(=O)C4CC4)CC3)c(C#N)cnc12.
What is the InChIKey of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is VKVBXDAKWJRVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-12-8-15(21)9-17-18(12)23-11-14(10-22)19(17)25-6-4-16(5-7-25)24-20(26)13-2-3-13/h8-9,11,13,16H,2-7H2,1H3,(H,24,26).
What are the key properties of N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 127358888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).