(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride

C30H32ClNO5 — CID 118734147

IUPAC(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride
SMILESCl.O=C1/C(=C/c2ccc(OCCCN3CCOCC3)cc2)COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C30H31NO5.ClH/c32-30-25(19-23-7-9-26(10-8-23)34-16-4-13-31-14-17-33-18-15-31)22-36-29-20-27(11-12-28(29)30)35-21-24-5-2-1-3-6-24;/h1-3,5-12,19-20H,4,13-18,21-22H2;1H/b25-19+;
InChIKeyYFSIIKASDGECFM-LUINMZRLSA-N
MW522.04 g/mol
LogP5.45
Rot. Bonds9

About (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride

(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride (PubChem CID 118734147) has the molecular formula C30H32ClNO5 and a molecular weight of 522.04 g/mol. Its IUPAC name is (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride.

Molecular Properties

Compound Name(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride
PubChem CID118734147
Molecular FormulaC30H32ClNO5
Molecular Weight522.04 g/mol
Exact Mass521.20
IUPAC Name(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride
SMILESCl.O=C1/C(=C/c2ccc(OCCCN3CCOCC3)cc2)COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C30H31NO5.ClH/c32-30-25(19-23-7-9-26(10-8-23)34-16-4-13-31-14-17-33-18-15-31)22-36-29-20-27(11-12-28(29)30)35-21-24-5-2-1-3-6-24;/h1-3,5-12,19-20H,4,13-18,21-22H2;1H/b25-19+;
InChIKeyYFSIIKASDGECFM-LUINMZRLSA-N
XLogP5.45
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.04
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one
CID 118734146
(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one
CID 118734124
(3E)-7-ethoxy-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]chromen-4-one;hydrochloride
CID 118734143
3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one
CID 74603716
(2E,6E)-2,6-bis[[4-(4-morpholin-4-ylbutoxy)phenyl]methylidene]cyclohexan-1-one
CID 71518857
(2E,5E)-2,5-bis[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]cyclopentan-1-one
CID 71518525
3-[4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]propanoic acid
CID 94132512
methyl 4-[[4-[(4-oxochromen-3-ylidene)methyl]phenoxy]methyl]benzoate
CID 5092070
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
(2Z)-2-[(4-methoxyphenyl)methylidene]-6-(3-pyrrolidin-1-ylpropoxy)-1-benzofuran-3-one;hydrochloride
CID 118723603
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride?
The IUPAC name of (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride (CID 118734147) is (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride.
What is the SMILES notation for (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride?
The canonical SMILES for (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride is Cl.O=C1/C(=C/c2ccc(OCCCN3CCOCC3)cc2)COc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride?
The InChIKey is YFSIIKASDGECFM-LUINMZRLSA-N. The full InChI is InChI=1S/C30H31NO5.ClH/c32-30-25(19-23-7-9-26(10-8-23)34-16-4-13-31-14-17-33-18-15-31)22-36-29-20-27(11-12-28(29)30)35-21-24-5-2-1-3-6-24;/h1-3,5-12,19-20H,4,13-18,21-22H2;1H/b25-19+;.
What are the key properties of (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride?
(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride has a molecular weight of 522.04 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride is sourced from PubChem (CID 118734147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).