7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one

C25H22ClNO4 — CID 123489638

IUPAC7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one
SMILESCOc1cc(C)c(Cl)c2c1C(=O)C1(O2)c2nc(-c3ccccc3)ccc2C(O)CC1C
InChIInChI=1S/C25H22ClNO4/c1-13-11-19(30-3)20-22(21(13)26)31-25(24(20)29)14(2)12-18(28)16-9-10-17(27-23(16)25)15-7-5-4-6-8-15/h4-11,14,18,28H,12H2,1-3H3
InChIKeyDKVMDJDYILPVOW-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.26
Rot. Bonds2

About 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one

7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one (PubChem CID 123489638) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one.

Molecular Properties

Compound Name7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one
PubChem CID123489638
Molecular FormulaC25H22ClNO4
Molecular Weight435.91 g/mol
Exact Mass435.12
IUPAC Name7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one
SMILESCOc1cc(C)c(Cl)c2c1C(=O)C1(O2)c2nc(-c3ccccc3)ccc2C(O)CC1C
InChIInChI=1S/C25H22ClNO4/c1-13-11-19(30-3)20-22(21(13)26)31-25(24(20)29)14(2)12-18(28)16-9-10-17(27-23(16)25)15-7-5-4-6-8-15/h4-11,14,18,28H,12H2,1-3H3
InChIKeyDKVMDJDYILPVOW-UHFFFAOYSA-N
XLogP5.26
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one 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

(2S,5'S,7'R)-7-chloro-5'-hydroxy-4,6-dimethoxy-7'-methyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one
CID 118254146
(2S,7'R)-5'-amino-7-chloro-4,6-dimethoxy-7'-methyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one
CID 118254078
propan-2-yl (2S,7'S)-7-chloro-4,6-dimethoxy-7'-methyl-3,5'-dioxo-4'-phenylspiro[1-benzofuran-2,6'-7,8-dihydroquinoline]-2'-carboxylate
CID 73330768
propan-2-yl 7-chloro-4,6-dimethoxy-7'-methyl-3,5'-dioxo-4'-phenylspiro[1-benzofuran-2,6'-7,8-dihydroquinoline]-2'-carboxylate
CID 118254089
(2S,7'R)-7-chloro-4,6-dimethoxy-7'-methylspiro[1-benzofuran-2,6'-7,8-dihydroquinoline]-3,5'-dione
CID 118254223
(2S,3'R,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-phenylspiro[1-benzofuran-2,5'-2,3,6,7-tetrahydro-1-benzofuran]-3,4'-dione
CID 118254103
2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexene]-1'-yl]amino]-N-naphthalen-1-ylacetamide
CID 118254198
methyl 7'-chloro-4'-methoxy-6',7-dimethyl-3',5-dioxo-4-phenylspiro[1,2,3,4,4a,6,7,8a-octahydroquinoline-8,2'-1-benzofuran]-2-carboxylate
CID 123209220
(6S,7S)-7'-chloro-2-(hydroxymethyl)-4',6'-dimethoxy-7-methyl-4-phenylspiro[1,2,3,4,7,8-hexahydroquinoline-6,2'-1-benzofuran]-3',5-dione
CID 73330767
(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-phenylmethoxyspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
CID 56950846
methyl 7-chloro-4,6-dimethoxy-7'-methyl-3,5'-dioxo-4'-phenylspiro[1-benzofuran-2,6'-2,3,4,4a,7,8-hexahydroquinoline]-2'-carboxylate
CID 123744221
(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[3-(1H-1,2,4-triazol-5-yl)anilino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
CID 125429837

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one?
The IUPAC name of 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one (CID 123489638) is 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one.
What is the SMILES notation for 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one?
The canonical SMILES for 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one is COc1cc(C)c(Cl)c2c1C(=O)C1(O2)c2nc(-c3ccccc3)ccc2C(O)CC1C.
What is the InChIKey of 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one?
The InChIKey is DKVMDJDYILPVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4/c1-13-11-19(30-3)20-22(21(13)26)31-25(24(20)29)14(2)12-18(28)16-9-10-17(27-23(16)25)15-7-5-4-6-8-15/h4-11,14,18,28H,12H2,1-3H3.
What are the key properties of 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one?
7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one has a molecular weight of 435.91 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5'-hydroxy-4-methoxy-6,7'-dimethyl-2'-phenylspiro[1-benzofuran-2,8'-6,7-dihydro-5H-quinoline]-3-one is sourced from PubChem (CID 123489638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).