(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid

C26H28N2O4 — CID 101018054

IUPAC(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid
SMILESC/C(=N/OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)O
InChIInChI=1S/C26H28N2O4/c1-18(26(29)30)28-32-25(20-8-3-2-4-9-20)21-12-15-23(16-13-21)31-17-22-14-11-19-7-5-6-10-24(19)27-22/h5-7,10-16,20,25H,2-4,8-9,17H2,1H3,(H,29,30)/b28-18-
InChIKeyUSBHSZPRMPADOE-VEILYXNESA-N
MW432.52 g/mol
LogP5.91
Rot. Bonds8

About (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid

(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid (PubChem CID 101018054) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid.

Molecular Properties

Compound Name(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid
PubChem CID101018054
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid
SMILESC/C(=N/OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)O
InChIInChI=1S/C26H28N2O4/c1-18(26(29)30)28-32-25(20-8-3-2-4-9-20)21-12-15-23(16-13-21)31-17-22-14-11-19-7-5-6-10-24(19)27-22/h5-7,10-16,20,25H,2-4,8-9,17H2,1H3,(H,29,30)/b28-18-
InChIKeyUSBHSZPRMPADOE-VEILYXNESA-N
XLogP5.91
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid with MolForge

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Related Compounds

Veliflapon
CID 123723
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
L 674573
CID 124437
Abt-080
CID 9850972
Wy 45911
CID 129110
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
CID 129863
Sodium; 6-[2-(4-fluoro-phenyl)-4-isopropyl-quinolin-3-yloxy]-3,5-dihydroxy-hexanoate
CID 56947040
Methyl 2-(3,3-dimethyl-1-phenylbutyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 70696345
4-[3-(Quinolin-2-ylmethoxy)-phenoxy]-butyric acid ethyl ester
CID 9820486
4-[3-[7-(2-Quinolinylmethoxy)-2-naphthyloxy]propyl]benzoic acid
CID 9847235
2-{Cyclohexyl-[4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-propionic acid
CID 9867465

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid?
The IUPAC name of (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid (CID 101018054) is (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid.
What is the SMILES notation for (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid?
The canonical SMILES for (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid is C/C(=N/OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)O.
What is the InChIKey of (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid?
The InChIKey is USBHSZPRMPADOE-VEILYXNESA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(26(29)30)28-32-25(20-8-3-2-4-9-20)21-12-15-23(16-13-21)31-17-22-14-11-19-7-5-6-10-24(19)27-22/h5-7,10-16,20,25H,2-4,8-9,17H2,1H3,(H,29,30)/b28-18-.
What are the key properties of (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid?
(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid has a molecular weight of 432.52 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid is sourced from PubChem (CID 101018054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).