4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde

C22H22N2O3 — CID 102511864

IUPAC4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde
SMILESO=CC1=C(/N=C(\Cc2ccccc2)N2CCOCC2)c2ccccc2OC1
InChIInChI=1S/C22H22N2O3/c25-15-18-16-27-20-9-5-4-8-19(20)22(18)23-21(24-10-12-26-13-11-24)14-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2/b23-21+
InChIKeyMXEAFIXPBBYBCV-XTQSDGFTSA-N
MW362.43 g/mol
LogP2.96
Rot. Bonds4

About 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde

4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde (PubChem CID 102511864) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde
PubChem CID102511864
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde
SMILESO=CC1=C(/N=C(\Cc2ccccc2)N2CCOCC2)c2ccccc2OC1
InChIInChI=1S/C22H22N2O3/c25-15-18-16-27-20-9-5-4-8-19(20)22(18)23-21(24-10-12-26-13-11-24)14-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2/b23-21+
InChIKeyMXEAFIXPBBYBCV-XTQSDGFTSA-N
XLogP2.96
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-2-phenyl-N-(2-phenylphenyl)ethanimine
CID 10832126
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
CID 46046494
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
2-phenyl-1-(2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)ethanone
CID 110069064
CID 146162313
CID 146162313
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
5-benzyl-1-benzofuran-3-one
CID 62272990
(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde
CID 174775048

Frequently Asked Questions

What is the IUPAC name of 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde?
The IUPAC name of 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde (CID 102511864) is 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde?
The canonical SMILES for 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde is O=CC1=C(/N=C(\Cc2ccccc2)N2CCOCC2)c2ccccc2OC1.
What is the InChIKey of 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde?
The InChIKey is MXEAFIXPBBYBCV-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-15-18-16-27-20-9-5-4-8-19(20)22(18)23-21(24-10-12-26-13-11-24)14-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2/b23-21+.
What are the key properties of 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde?
4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde has a molecular weight of 362.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 102511864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).