2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one

C29H23NO5 — CID 133083422

IUPAC2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one
SMILESO=C(C=C1c2c(c3ccccc3oc2=O)OC1(c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C29H23NO5/c31-24(20-9-3-1-4-10-20)19-23-26-27(22-13-7-8-14-25(22)34-28(26)32)35-29(23,21-11-5-2-6-12-21)30-15-17-33-18-16-30/h1-14,19H,15-18H2
InChIKeyDHPXGQLZKVBGMO-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.64
Rot. Bonds4

About 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one

2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one (PubChem CID 133083422) has the molecular formula C29H23NO5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one
PubChem CID133083422
Molecular FormulaC29H23NO5
Molecular Weight465.51 g/mol
Exact Mass465.16
IUPAC Name2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one
SMILESO=C(C=C1c2c(c3ccccc3oc2=O)OC1(c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C29H23NO5/c31-24(20-9-3-1-4-10-20)19-23-26-27(22-13-7-8-14-25(22)34-28(26)32)35-29(23,21-11-5-2-6-12-21)30-15-17-33-18-16-30/h1-14,19H,15-18H2
InChIKeyDHPXGQLZKVBGMO-UHFFFAOYSA-N
XLogP4.64
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one
CID 92857426
3-benzoyl-4-phenylchromen-2-one
CID 629843
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
2,2,4-trimethylpyrano[3,2-c]chromen-5-one
CID 13244741
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
CID 132820910
3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one
CID 175206749
3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103261025
2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103261059
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
6-oxobenzo[c]chromene-7-carboxylic acid
CID 14083219
3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917217

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one (CID 133083422) is 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one is O=C(C=C1c2c(c3ccccc3oc2=O)OC1(c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is DHPXGQLZKVBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5/c31-24(20-9-3-1-4-10-20)19-23-26-27(22-13-7-8-14-25(22)34-28(26)32)35-29(23,21-11-5-2-6-12-21)30-15-17-33-18-16-30/h1-14,19H,15-18H2.
What are the key properties of 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one?
2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 465.51 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-3-phenacylidene-2-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 133083422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).