2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one

C23H28N2O2 — CID 20931387

IUPAC2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1
InChIInChI=1S/C23H28N2O2/c1-4-12-25(15-18-7-9-20(10-8-18)27-5-2)16-19-14-23(26)21-13-17(3)6-11-22(21)24-19/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,24,26)
InChIKeyBBIHHSIUHJTLIN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.65
Rot. Bonds8

About 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one

2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one (PubChem CID 20931387) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one
PubChem CID20931387
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1
InChIInChI=1S/C23H28N2O2/c1-4-12-25(15-18-7-9-20(10-8-18)27-5-2)16-19-14-23(26)21-13-17(3)6-11-22(21)24-19/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,24,26)
InChIKeyBBIHHSIUHJTLIN-UHFFFAOYSA-N
XLogP4.65
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931380
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
2-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 20931394
2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 20931301
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
2-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-4-one
CID 20931393
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 72882917
1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 157345217
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 97155530
7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803527
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one (CID 20931387) is 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one is CCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1.
What is the InChIKey of 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is BBIHHSIUHJTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-12-25(15-18-7-9-20(10-8-18)27-5-2)16-19-14-23(26)21-13-17(3)6-11-22(21)24-19/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,24,26).
What are the key properties of 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one?
2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 364.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 20931387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).