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

C21H25FN2O — CID 142556941

IUPACN-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C21H25FN2O/c1-13(24-21(25)16-6-7-16)14-2-4-15(5-3-14)18-10-11-23-20-9-8-17(22)12-19(18)20/h8-16H,2-7H2,1H3,(H,24,25)
InChIKeyKHJLMNXDKAFQKF-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.56
Rot. Bonds4

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

N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide (PubChem CID 142556941) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
PubChem CID142556941
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C21H25FN2O/c1-13(24-21(25)16-6-7-16)14-2-4-15(5-3-14)18-10-11-23-20-9-8-17(22)12-19(18)20/h8-16H,2-7H2,1H3,(H,24,25)
InChIKeyKHJLMNXDKAFQKF-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.56
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]cyclopropanecarboxamide?
The IUPAC name of N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide (CID 142556941) is N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide is CC(NC(=O)C1CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide?
The InChIKey is KHJLMNXDKAFQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-13(24-21(25)16-6-7-16)14-2-4-15(5-3-14)18-10-11-23-20-9-8-17(22)12-19(18)20/h8-16H,2-7H2,1H3,(H,24,25).
What are the key properties of N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide?
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide has a molecular weight of 340.44 g/mol, XLogP of 4.56, 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]cyclopropanecarboxamide is sourced from PubChem (CID 142556941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).