N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine

C38H33N3O3 — CID 10721941

IUPACN-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine
SMILESON=C1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C38H33N3O3/c42-41-31-21-23-38(24-22-31,29-11-17-34(18-12-29)43-25-32-15-9-27-5-1-3-7-36(27)39-32)30-13-19-35(20-14-30)44-26-33-16-10-28-6-2-4-8-37(28)40-33/h1-20,42H,21-26H2
InChIKeyBDCWABOFYPKPII-UHFFFAOYSA-N
MW579.70 g/mol
LogP8.63
Rot. Bonds8

About N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine

N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine (PubChem CID 10721941) has the molecular formula C38H33N3O3 and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine
PubChem CID10721941
Molecular FormulaC38H33N3O3
Molecular Weight579.70 g/mol
Exact Mass579.25
IUPAC NameN-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine
SMILESON=C1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C38H33N3O3/c42-41-31-21-23-38(24-22-31,29-11-17-34(18-12-29)43-25-32-15-9-27-5-1-3-7-36(27)39-32)30-13-19-35(20-14-30)44-26-33-16-10-28-6-2-4-8-37(28)40-33/h1-20,42H,21-26H2
InChIKeyBDCWABOFYPKPII-UHFFFAOYSA-N
XLogP8.63
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine?
The IUPAC name of N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine (CID 10721941) is N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine is ON=C1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1.
What is the InChIKey of N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine?
The InChIKey is BDCWABOFYPKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N3O3/c42-41-31-21-23-38(24-22-31,29-11-17-34(18-12-29)43-25-32-15-9-27-5-1-3-7-36(27)39-32)30-13-19-35(20-14-30)44-26-33-16-10-28-6-2-4-8-37(28)40-33/h1-20,42H,21-26H2.
What are the key properties of N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine?
N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine has a molecular weight of 579.70 g/mol, XLogP of 8.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexylidene]hydroxylamine is sourced from PubChem (CID 10721941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).