N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide

C22H21ClFN3O — CID 139429318

IUPACN'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide
SMILESON/C(=N\c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H21ClFN3O/c23-16-5-8-18(9-6-16)26-22(27-28)15-3-1-14(2-4-15)19-11-12-25-21-10-7-17(24)13-20(19)21/h5-15,28H,1-4H2,(H,26,27)
InChIKeyAXYMAONUKYOGFV-UHFFFAOYSA-N
MW397.88 g/mol
LogP6.01
Rot. Bonds3

About N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide

N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide (PubChem CID 139429318) has the molecular formula C22H21ClFN3O and a molecular weight of 397.88 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide
PubChem CID139429318
Molecular FormulaC22H21ClFN3O
Molecular Weight397.88 g/mol
Exact Mass397.14
IUPAC NameN'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide
SMILESON/C(=N\c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H21ClFN3O/c23-16-5-8-18(9-6-16)26-22(27-28)15-3-1-14(2-4-15)19-11-12-25-21-10-7-17(24)13-20(19)21/h5-15,28H,1-4H2,(H,26,27)
InChIKeyAXYMAONUKYOGFV-UHFFFAOYSA-N
XLogP6.01
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.88
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-hydroxy-N'-(4-prop-2-ynylphenyl)propanimidamide
CID 153351367
4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline
CID 155416442
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
CID 162717058
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide (CID 139429318) is N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide is ON/C(=N\c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide?
The InChIKey is AXYMAONUKYOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O/c23-16-5-8-18(9-6-16)26-22(27-28)15-3-1-14(2-4-15)19-11-12-25-21-10-7-17(24)13-20(19)21/h5-15,28H,1-4H2,(H,26,27).
What are the key properties of N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide?
N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide has a molecular weight of 397.88 g/mol, XLogP of 6.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 139429318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).