(2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid

C24H24N2O3 — CID 10620314

IUPAC(2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(-c2ccc3ccccc3n2)cc1)C1CCCCC1
InChIInChI=1S/C24H24N2O3/c27-23(28)16-25-29-24(19-7-2-1-3-8-19)20-12-10-18(11-13-20)22-15-14-17-6-4-5-9-21(17)26-22/h4-6,9-16,19,24H,1-3,7-8H2,(H,27,28)/b25-16+
InChIKeyXVMNJMATCPGKNK-PCLIKHOPSA-N
MW388.47 g/mol
LogP5.61
Rot. Bonds6

About (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid

(2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid (PubChem CID 10620314) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid
PubChem CID10620314
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(-c2ccc3ccccc3n2)cc1)C1CCCCC1
InChIInChI=1S/C24H24N2O3/c27-23(28)16-25-29-24(19-7-2-1-3-8-19)20-12-10-18(11-13-20)22-15-14-17-6-4-5-9-21(17)26-22/h4-6,9-16,19,24H,1-3,7-8H2,(H,27,28)/b25-16+
InChIKeyXVMNJMATCPGKNK-PCLIKHOPSA-N
XLogP5.61
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10765188
(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10788213
iridium;tris(2-phenylquinoline)
CID 122129463
2-[4-(difluoromethyl)phenyl]quinoline
CID 140737123
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651
cyclohexyl-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]methanol
CID 10712422
(2E)-2-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methoxy]iminopropanoic acid
CID 10646537
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
CID 46376165
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
CID 145465094
1-(4-quinolin-2-ylphenyl)propan-2-one
CID 82540961
1-(2-chloro-4-quinolin-2-ylphenyl)ethanone
CID 116645015
tert-butyl carbamate;2-phenylquinoline
CID 175279486

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid?
The IUPAC name of (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid (CID 10620314) is (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid.
What is the SMILES notation for (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid?
The canonical SMILES for (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid is O=C(O)/C=N/OC(c1ccc(-c2ccc3ccccc3n2)cc1)C1CCCCC1.
What is the InChIKey of (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid?
The InChIKey is XVMNJMATCPGKNK-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(28)16-25-29-24(19-7-2-1-3-8-19)20-12-10-18(11-13-20)22-15-14-17-6-4-5-9-21(17)26-22/h4-6,9-16,19,24H,1-3,7-8H2,(H,27,28)/b25-16+.
What are the key properties of (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid?
(2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid has a molecular weight of 388.47 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[cyclohexyl-(4-quinolin-2-ylphenyl)methoxy]iminoacetic acid is sourced from PubChem (CID 10620314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).