N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide

C22H27FN2O — CID 142556943

IUPACN-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H27FN2O/c1-14(25-22(26)17-3-2-4-17)15-5-7-16(8-6-15)19-11-12-24-21-10-9-18(23)13-20(19)21/h9-17H,2-8H2,1H3,(H,25,26)
InChIKeyQKWCEDHOOFIBML-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.95
Rot. Bonds4

About N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide

N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide (PubChem CID 142556943) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide
PubChem CID142556943
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H27FN2O/c1-14(25-22(26)17-3-2-4-17)15-5-7-16(8-6-15)19-11-12-24-21-10-9-18(23)13-20(19)21/h9-17H,2-8H2,1H3,(H,25,26)
InChIKeyQKWCEDHOOFIBML-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide (CID 142556943) is N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide?
The InChIKey is QKWCEDHOOFIBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-14(25-22(26)17-3-2-4-17)15-5-7-16(8-6-15)19-11-12-24-21-10-9-18(23)13-20(19)21/h9-17H,2-8H2,1H3,(H,25,26).
What are the key properties of N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide?
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide has a molecular weight of 354.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 142556943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).