[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C26H28N2O5 — CID 42750008

IUPAC[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C26H28N2O5/c1-17-4-7-22-20(14-17)21(25(29)28-10-8-26(9-11-28)32-12-13-33-26)16-23(27-22)19-6-5-18(30-2)15-24(19)31-3/h4-7,14-16H,8-13H2,1-3H3
InChIKeyQBDUTABUWVEOOO-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.21
Rot. Bonds4

About [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 42750008) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID42750008
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C26H28N2O5/c1-17-4-7-22-20(14-17)21(25(29)28-10-8-26(9-11-28)32-12-13-33-26)16-23(27-22)19-6-5-18(30-2)15-24(19)31-3/h4-7,14-16H,8-13H2,1-3H3
InChIKeyQBDUTABUWVEOOO-UHFFFAOYSA-N
XLogP4.21
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone 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

[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749888
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42749997
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42759085
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
1-[3-[6-methyl-2-(5-methylfuran-2-yl)quinoline-4-carbonyl]-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 175931011
2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
CID 42749987

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 42750008) is [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3cc(C)ccc3n2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is QBDUTABUWVEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-17-4-7-22-20(14-17)21(25(29)28-10-8-26(9-11-28)32-12-13-33-26)16-23(27-22)19-6-5-18(30-2)15-24(19)31-3/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 448.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 42750008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).