6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C26H36ClN3O — CID 150308947

IUPAC6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1Cl
InChIInChI=1S/C26H36ClN3O/c1-3-4-5-6-7-8-9-10-15-28-17-22-18-29-19-23(26(22)27)20-11-13-24-21(16-20)12-14-25(31)30(24)2/h11,13,16,18-19,28H,3-10,12,14-15,17H2,1-2H3
InChIKeyGLEVGRRACDNFOO-UHFFFAOYSA-N
MW442.05 g/mol
LogP6.54
Rot. Bonds12

About 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 150308947) has the molecular formula C26H36ClN3O and a molecular weight of 442.05 g/mol. Its IUPAC name is 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID150308947
Molecular FormulaC26H36ClN3O
Molecular Weight442.05 g/mol
Exact Mass441.25
IUPAC Name6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1Cl
InChIInChI=1S/C26H36ClN3O/c1-3-4-5-6-7-8-9-10-15-28-17-22-18-29-19-23(26(22)27)20-11-13-24-21(16-20)12-14-25(31)30(24)2/h11,13,16,18-19,28H,3-10,12,14-15,17H2,1-2H3
InChIKeyGLEVGRRACDNFOO-UHFFFAOYSA-N
XLogP6.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.05
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 150308947) is 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1Cl.
What is the InChIKey of 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is GLEVGRRACDNFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN3O/c1-3-4-5-6-7-8-9-10-15-28-17-22-18-29-19-23(26(22)27)20-11-13-24-21(16-20)12-14-25(31)30(24)2/h11,13,16,18-19,28H,3-10,12,14-15,17H2,1-2H3.
What are the key properties of 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 442.05 g/mol, XLogP of 6.54, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 150308947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).