(NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine

C19H14N2O3 — CID 136503369

IUPAC(NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine
SMILESCOc1ccc2/c(=N/O)cc(-c3cc4ccccc4cn3)oc2c1
InChIInChI=1S/C19H14N2O3/c1-23-14-6-7-15-16(21-22)10-19(24-18(15)9-14)17-8-12-4-2-3-5-13(12)11-20-17/h2-11,22H,1H3/b21-16+
InChIKeyJZVMGBKLMJNIDY-LTGZKZEYSA-N
MW318.33 g/mol
LogP3.95
Rot. Bonds2

About (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine

(NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine (PubChem CID 136503369) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine
PubChem CID136503369
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name(NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine
SMILESCOc1ccc2/c(=N/O)cc(-c3cc4ccccc4cn3)oc2c1
InChIInChI=1S/C19H14N2O3/c1-23-14-6-7-15-16(21-22)10-19(24-18(15)9-14)17-8-12-4-2-3-5-13(12)11-20-17/h2-11,22H,1H3/b21-16+
InChIKeyJZVMGBKLMJNIDY-LTGZKZEYSA-N
XLogP3.95
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
Gsk-2646264
CID 60194098
Octaverine
CID 68363
5,7-Dimethoxy-3-(4-pyridinyl)quinoline
CID 3139
Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
CID 199654
Methyl 3-phenyl-7-isoquinolinyl ether
CID 1235204
8-[3-(2,3-Dimethylphenoxy)propoxy]quinoline
CID 2283202
3-(2,4,6-Trimethoxybenzylidene)anabaseine
CID 11595246
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
7-(4-(methyloxy)-2-{[(4-methyl-2-pyridinyl)methyl]oxy}phenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 70665241
(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine
CID 71728303
(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
CID 136503347

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine (CID 136503369) is (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine is COc1ccc2/c(=N/O)cc(-c3cc4ccccc4cn3)oc2c1.
What is the InChIKey of (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine?
The InChIKey is JZVMGBKLMJNIDY-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-14-6-7-15-16(21-22)10-19(24-18(15)9-14)17-8-12-4-2-3-5-13(12)11-20-17/h2-11,22H,1H3/b21-16+.
What are the key properties of (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine?
(NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine has a molecular weight of 318.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-isoquinolin-3-yl-7-methoxychromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 136503369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).