3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one

C26H29N3O4 — CID 608539

IUPAC3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCN(Cc1c(C)[nH]c2ccc(OC)cc2c1=O)Cc1c(C)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C26H29N3O4/c1-6-29(13-21-15(2)27-23-9-7-17(32-4)11-19(23)25(21)30)14-22-16(3)28-24-10-8-18(33-5)12-20(24)26(22)31/h7-12H,6,13-14H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyJIMOVCPMAAPKOE-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.03
Rot. Bonds7

About 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one

3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 608539) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID608539
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCN(Cc1c(C)[nH]c2ccc(OC)cc2c1=O)Cc1c(C)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C26H29N3O4/c1-6-29(13-21-15(2)27-23-9-7-17(32-4)11-19(23)25(21)30)14-22-16(3)28-24-10-8-18(33-5)12-20(24)26(22)31/h7-12H,6,13-14H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyJIMOVCPMAAPKOE-UHFFFAOYSA-N
XLogP4.03
TPSA87.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240333
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 730971
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 1178704
6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 4532113
2-amino-3-butyl-6-methoxy-1H-quinolin-4-one
CID 46708037
6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3601199
3-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one
CID 728856
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one (CID 608539) is 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one is CCN(Cc1c(C)[nH]c2ccc(OC)cc2c1=O)Cc1c(C)[nH]c2ccc(OC)cc2c1=O.
What is the InChIKey of 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is JIMOVCPMAAPKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-6-29(13-21-15(2)27-23-9-7-17(32-4)11-19(23)25(21)30)14-22-16(3)28-24-10-8-18(33-5)12-20(24)26(22)31/h7-12H,6,13-14H2,1-5H3,(H,27,30)(H,28,31).
What are the key properties of 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one?
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 447.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 608539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).