1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one

C26H28N4O2 — CID 70656268

IUPAC1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2c(OCCCNCc3ccnc(CCc4cccnc4)c3)cccc21
InChIInChI=1S/C26H28N4O2/c1-30-24-6-2-7-25(23(24)10-11-26(30)31)32-16-4-14-28-19-21-12-15-29-22(17-21)9-8-20-5-3-13-27-18-20/h2-3,5-7,10-13,15,17-18,28H,4,8-9,14,16,19H2,1H3
InChIKeyBJNUYBUQQJNADJ-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.67
Rot. Bonds10

About 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one

1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one (PubChem CID 70656268) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
PubChem CID70656268
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2c(OCCCNCc3ccnc(CCc4cccnc4)c3)cccc21
InChIInChI=1S/C26H28N4O2/c1-30-24-6-2-7-25(23(24)10-11-26(30)31)32-16-4-14-28-19-21-12-15-29-22(17-21)9-8-20-5-3-13-27-18-20/h2-3,5-7,10-13,15,17-18,28H,4,8-9,14,16,19H2,1H3
InChIKeyBJNUYBUQQJNADJ-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea
CID 162624760
2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10127673
1-Ethyl-3-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]urea
CID 10151492
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10173263
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
CID 10194809
N-methyl-N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 10194820
N-(3-{4-[2-(2-Methylquinolin-5-yloxy)ethyl]piperazin-1-ylmethyl}phenyl)-acetamide
CID 10237964
1-[2-Methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
2-oxo-4-(3-pyridinyl)-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile
CID 2816449
(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 6215469
3-(6-tert-butylpyridin-3-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 10215323
6-[[1-(2-quinolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10223717

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
The IUPAC name of 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one (CID 70656268) is 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one is Cn1c(=O)ccc2c(OCCCNCc3ccnc(CCc4cccnc4)c3)cccc21.
What is the InChIKey of 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
The InChIKey is BJNUYBUQQJNADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-30-24-6-2-7-25(23(24)10-11-26(30)31)32-16-4-14-28-19-21-12-15-29-22(17-21)9-8-20-5-3-13-27-18-20/h2-3,5-7,10-13,15,17-18,28H,4,8-9,14,16,19H2,1H3.
What are the key properties of 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one has a molecular weight of 428.54 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one is sourced from PubChem (CID 70656268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).