(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone

C23H27NO5 — CID 110635765

IUPAC(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1cc2c(cc1OC)C1(CCOCC1)CN(C(=O)c1ccccc1OC)C2
InChIInChI=1S/C23H27NO5/c1-26-19-7-5-4-6-17(19)22(25)24-14-16-12-20(27-2)21(28-3)13-18(16)23(15-24)8-10-29-11-9-23/h4-7,12-13H,8-11,14-15H2,1-3H3
InChIKeyFHGQMABZXUZUEO-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.42
Rot. Bonds4

About (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone

(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone (PubChem CID 110635765) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone
PubChem CID110635765
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1cc2c(cc1OC)C1(CCOCC1)CN(C(=O)c1ccccc1OC)C2
InChIInChI=1S/C23H27NO5/c1-26-19-7-5-4-6-17(19)22(25)24-14-16-12-20(27-2)21(28-3)13-18(16)23(15-24)8-10-29-11-9-23/h4-7,12-13H,8-11,14-15H2,1-3H3
InChIKeyFHGQMABZXUZUEO-UHFFFAOYSA-N
XLogP3.42
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate
CID 110635780
3-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carbonyl)benzonitrile
CID 110635764
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)pentan-1-one
CID 110635748
ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate
CID 14595206
(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
CID 110635807
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone
CID 1375870
(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone
CID 110635806
5-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-carbonyl)-1H-pyridin-2-one
CID 110613933
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-(oxolan-2-yl)methanone
CID 110428590
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-3-(furan-2-yl)propan-1-one
CID 110426050
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone (CID 110635765) is (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone is COc1cc2c(cc1OC)C1(CCOCC1)CN(C(=O)c1ccccc1OC)C2.
What is the InChIKey of (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone?
The InChIKey is FHGQMABZXUZUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-26-19-7-5-4-6-17(19)22(25)24-14-16-12-20(27-2)21(28-3)13-18(16)23(15-24)8-10-29-11-9-23/h4-7,12-13H,8-11,14-15H2,1-3H3.
What are the key properties of (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone?
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone has a molecular weight of 397.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110635765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).