(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide

C20H25FN2O2 — CID 142752025

IUPAC(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H25FN2O2/c1-13(20(24)23(2)25-3)14-4-6-15(7-5-14)17-10-11-22-19-9-8-16(21)12-18(17)19/h8-15H,4-7H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyHOTCWOJQHLYDGG-WLYUNCDWSA-N
MW344.43 g/mol
LogP4.30
Rot. Bonds4

About (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide

(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide (PubChem CID 142752025) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
PubChem CID142752025
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H25FN2O2/c1-13(20(24)23(2)25-3)14-4-6-15(7-5-14)17-10-11-22-19-9-8-16(21)12-18(17)19/h8-15H,4-7H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyHOTCWOJQHLYDGG-WLYUNCDWSA-N
XLogP4.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
methyl 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoylamino]benzoate
CID 121333286
[(4-chlorophenyl)-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]carbamoyl]oxymethyl butanoate
CID 177124641
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one
CID 146182741
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333236
N-(2-amino-4,5-difluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 154634623
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333237
N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088674
(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121333278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide (CID 142752025) is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide is CON(C)C(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide?
The InChIKey is HOTCWOJQHLYDGG-WLYUNCDWSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-13(20(24)23(2)25-3)14-4-6-15(7-5-14)17-10-11-22-19-9-8-16(21)12-18(17)19/h8-15H,4-7H2,1-3H3/t13-,14?,15?/m1/s1.
What are the key properties of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide?
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide has a molecular weight of 344.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 142752025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).