2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde

C24H24N2O3 — CID 57218822

IUPAC2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde
SMILESO=CC1ON1C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
InChIInChI=1S/C24H24N2O3/c27-15-23-26(29-23)24(18-6-1-2-7-18)19-10-13-21(14-11-19)28-16-20-12-9-17-5-3-4-8-22(17)25-20/h3-5,8-15,18,23-24H,1-2,6-7,16H2
InChIKeyYJOZKPHLOQEROJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.82
Rot. Bonds7

About 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde

2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde (PubChem CID 57218822) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde
PubChem CID57218822
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde
SMILESO=CC1ON1C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
InChIInChI=1S/C24H24N2O3/c27-15-23-26(29-23)24(18-6-1-2-7-18)19-10-13-21(14-11-19)28-16-20-12-9-17-5-3-4-8-22(17)25-20/h3-5,8-15,18,23-24H,1-2,6-7,16H2
InChIKeyYJOZKPHLOQEROJ-UHFFFAOYSA-N
XLogP4.82
TPSA54.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid
CID 54320479
O-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 10619562
(2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10765188
methyl 3-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]propanoate;methyl 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 161335113
acetyl-aminooxy-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]-hydroxyazanium
CID 173332529
methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate
CID 67719075
2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 19737370
2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
CID 67704199
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
cyclohexyl-[4-[(6-fluoroquinolin-2-yl)methoxy]phenyl]methanol
CID 11793224
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde?
The IUPAC name of 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde (CID 57218822) is 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde.
What is the SMILES notation for 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde?
The canonical SMILES for 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde is O=CC1ON1C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde?
The InChIKey is YJOZKPHLOQEROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-15-23-26(29-23)24(18-6-1-2-7-18)19-10-13-21(14-11-19)28-16-20-12-9-17-5-3-4-8-22(17)25-20/h3-5,8-15,18,23-24H,1-2,6-7,16H2.
What are the key properties of 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde?
2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde has a molecular weight of 388.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde is sourced from PubChem (CID 57218822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).