ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine

C31H32N2O4 — CID 142258935

IUPACethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine
SMILESC=C(NO)C1CC1Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1.CCOC=O
InChIInChI=1S/C28H26N2O2.C3H6O2/c1-19(30-31)26-16-22(26)15-20-11-13-24(14-12-20)32-18-23-17-28(21-7-3-2-4-8-21)29-27-10-6-5-9-25(23)27;1-2-5-3-4/h2-14,17,22,26,30-31H,1,15-16,18H2;3H,2H2,1H3
InChIKeyIOPFNJYTKBENGS-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.33
Rot. Bonds10

About ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine

ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine (PubChem CID 142258935) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine.

Molecular Properties

Compound Nameethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine
PubChem CID142258935
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Nameethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine
SMILESC=C(NO)C1CC1Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1.CCOC=O
InChIInChI=1S/C28H26N2O2.C3H6O2/c1-19(30-31)26-16-22(26)15-20-11-13-24(14-12-20)32-18-23-17-28(21-7-3-2-4-8-21)29-27-10-6-5-9-25(23)27;1-2-5-3-4/h2-14,17,22,26,30-31H,1,15-16,18H2;3H,2H2,1H3
InChIKeyIOPFNJYTKBENGS-UHFFFAOYSA-N
XLogP6.33
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde
CID 142258853
methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756
tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 67561637
2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal
CID 142258913
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 44581112
methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate
CID 20748815
2-[[3-fluoro-4-[(2-pyrrolidin-1-ylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;methyl formate
CID 142258842
trans-(1S,2S)-N-hydroxy-2-[(E)-3-[methyl(3-methylpentyl)amino]-3-oxoprop-1-enyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 142258685
cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 59978420
N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
CID 22616988
N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
CID 10181303
cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 142258932

Frequently Asked Questions

What is the IUPAC name of ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine?
The IUPAC name of ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine (CID 142258935) is ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine.
What is the SMILES notation for ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine?
The canonical SMILES for ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine is C=C(NO)C1CC1Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1.CCOC=O.
What is the InChIKey of ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine?
The InChIKey is IOPFNJYTKBENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2.C3H6O2/c1-19(30-31)26-16-22(26)15-20-11-13-24(14-12-20)32-18-23-17-28(21-7-3-2-4-8-21)29-27-10-6-5-9-25(23)27;1-2-5-3-4/h2-14,17,22,26,30-31H,1,15-16,18H2;3H,2H2,1H3.
What are the key properties of ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine?
ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine has a molecular weight of 496.61 g/mol, XLogP of 6.33, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine is sourced from PubChem (CID 142258935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).