6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one

C21H21NO3 — CID 15684122

IUPAC6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one
SMILESCOc1cc2c(cc1OC)N(C)CC1(C2)C(=O)C=Cc2ccccc21
InChIInChI=1S/C21H21NO3/c1-22-13-21(16-7-5-4-6-14(16)8-9-20(21)23)12-15-10-18(24-2)19(25-3)11-17(15)22/h4-11H,12-13H2,1-3H3
InChIKeyFDMYHUQNVAAZRU-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.23
Rot. Bonds2

About 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one

6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one (PubChem CID 15684122) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one
PubChem CID15684122
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one
SMILESCOc1cc2c(cc1OC)N(C)CC1(C2)C(=O)C=Cc2ccccc21
InChIInChI=1S/C21H21NO3/c1-22-13-21(16-7-5-4-6-14(16)8-9-20(21)23)12-15-10-18(24-2)19(25-3)11-17(15)22/h4-11H,12-13H2,1-3H3
InChIKeyFDMYHUQNVAAZRU-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid
CID 175338112
7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one
CID 12027017
1'-methylspiro[1,2-dihydroindene-3,3'-2H-indole]
CID 11322294
11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one
CID 155805893
(1R,5S,13S)-9,10-dimethoxy-14-methyl-4,14-diazapentacyclo[11.7.0.01,5.07,12.015,20]icosa-7,9,11,15,17,19-hexaene
CID 71729121
6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13029673
4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
CID 101079633
spiro[3,4-dihydro-1H-benzo[f]quinoline-2,1'-naphthalene]-2'-one
CID 15033289
(3S)-1'-(3,4-dimethoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103926
7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one
CID 10273393
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
CID 2893867

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one?
The IUPAC name of 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one (CID 15684122) is 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one.
What is the SMILES notation for 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one?
The canonical SMILES for 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one is COc1cc2c(cc1OC)N(C)CC1(C2)C(=O)C=Cc2ccccc21.
What is the InChIKey of 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one?
The InChIKey is FDMYHUQNVAAZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-22-13-21(16-7-5-4-6-14(16)8-9-20(21)23)12-15-10-18(24-2)19(25-3)11-17(15)22/h4-11H,12-13H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one?
6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one has a molecular weight of 335.40 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one is sourced from PubChem (CID 15684122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).