1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one

C32H34N4O2 — CID 140651697

IUPAC1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCCCN(CCc3cccnc3)Cc3ccnc4ccccc34)ccc21
InChIInChI=1S/C32H34N4O2/c1-35-31-13-12-28(22-26(31)11-14-32(35)37)38-21-6-2-5-19-36(20-16-25-8-7-17-33-23-25)24-27-15-18-34-30-10-4-3-9-29(27)30/h3-4,7-15,17-18,22-23H,2,5-6,16,19-21,24H2,1H3
InChIKeyFRCFIKJQEPYKIN-UHFFFAOYSA-N
MW506.65 g/mol
LogP5.78
Rot. Bonds12

About 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one

1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one (PubChem CID 140651697) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one
PubChem CID140651697
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC Name1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCCCN(CCc3cccnc3)Cc3ccnc4ccccc34)ccc21
InChIInChI=1S/C32H34N4O2/c1-35-31-13-12-28(22-26(31)11-14-32(35)37)38-21-6-2-5-19-36(20-16-25-8-7-17-33-23-25)24-27-15-18-34-30-10-4-3-9-29(27)30/h3-4,7-15,17-18,22-23H,2,5-6,16,19-21,24H2,1H3
InChIKeyFRCFIKJQEPYKIN-UHFFFAOYSA-N
XLogP5.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one (CID 140651697) is 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one is Cn1c(=O)ccc2cc(OCCCCCN(CCc3cccnc3)Cc3ccnc4ccccc34)ccc21.
What is the InChIKey of 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one?
The InChIKey is FRCFIKJQEPYKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-35-31-13-12-28(22-26(31)11-14-32(35)37)38-21-6-2-5-19-36(20-16-25-8-7-17-33-23-25)24-27-15-18-34-30-10-4-3-9-29(27)30/h3-4,7-15,17-18,22-23H,2,5-6,16,19-21,24H2,1H3.
What are the key properties of 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one?
1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one has a molecular weight of 506.65 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one is sourced from PubChem (CID 140651697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).