N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide

C24H31FN2O2 — CID 175886025

IUPACN-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(O)CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H31FN2O2/c1-15(27-24(29)18-6-9-20(28)10-7-18)16-2-4-17(5-3-16)21-12-13-26-23-11-8-19(25)14-22(21)23/h8,11-18,20,28H,2-7,9-10H2,1H3,(H,27,29)/t15-,16?,17?,18?,20?/m0/s1
InChIKeyIENWFYGNINDDIO-CCLIWJKGSA-N
MW398.52 g/mol
LogP4.70
Rot. Bonds4

About N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide

N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 175886025) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID175886025
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(O)CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H31FN2O2/c1-15(27-24(29)18-6-9-20(28)10-7-18)16-2-4-17(5-3-16)21-12-13-26-23-11-8-19(25)14-22(21)23/h8,11-18,20,28H,2-7,9-10H2,1H3,(H,27,29)/t15-,16?,17?,18?,20?/m0/s1
InChIKeyIENWFYGNINDDIO-CCLIWJKGSA-N
XLogP4.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide
CID 142556943
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide
CID 121332507
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-imidazol-1-ylbenzamide
CID 121332535
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
CID 142752025
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
(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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide (CID 175886025) is N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide is C[C@H](NC(=O)C1CCC(O)CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is IENWFYGNINDDIO-CCLIWJKGSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-15(27-24(29)18-6-9-20(28)10-7-18)16-2-4-17(5-3-16)21-12-13-26-23-11-8-19(25)14-22(21)23/h8,11-18,20,28H,2-7,9-10H2,1H3,(H,27,29)/t15-,16?,17?,18?,20?/m0/s1.
What are the key properties of N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide?
N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 175886025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).