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

C24H31FN2O — CID 138549887

IUPACN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H31FN2O/c1-16(27-24(28)19-5-3-2-4-6-19)17-7-9-18(10-8-17)21-13-14-26-23-12-11-20(25)15-22(21)23/h11-19H,2-10H2,1H3,(H,27,28)/t16-,17?,18?/m1/s1
InChIKeyWMHOQRCAAUMCMZ-WWDZGPRUSA-N
MW382.52 g/mol
LogP5.73
Rot. Bonds4

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

N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide (PubChem CID 138549887) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide
PubChem CID138549887
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H31FN2O/c1-16(27-24(28)19-5-3-2-4-6-19)17-7-9-18(10-8-17)21-13-14-26-23-12-11-20(25)15-22(21)23/h11-19H,2-10H2,1H3,(H,27,28)/t16-,17?,18?/m1/s1
InChIKeyWMHOQRCAAUMCMZ-WWDZGPRUSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide (CID 138549887) is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide is C[C@@H](NC(=O)C1CCCCC1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide?
The InChIKey is WMHOQRCAAUMCMZ-WWDZGPRUSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-16(27-24(28)19-5-3-2-4-6-19)17-7-9-18(10-8-17)21-13-14-26-23-12-11-20(25)15-22(21)23/h11-19H,2-10H2,1H3,(H,27,28)/t16-,17?,18?/m1/s1.
What are the key properties of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide?
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide has a molecular weight of 382.52 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 138549887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).