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

C25H35N3O — CID 151905560

IUPAC1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-14-26-17-20-15-23(19-27-18-20)21-10-12-24-22(16-21)11-13-25(29)28(24)2/h10,12,15-16,18-19,26H,3-9,11,13-14,17H2,1-2H3
InChIKeySTQVSNJUVZCJGU-UHFFFAOYSA-N
MW393.58 g/mol
LogP5.50
Rot. Bonds11

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

1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 151905560) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID151905560
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-14-26-17-20-15-23(19-27-18-20)21-10-12-24-22(16-21)11-13-25(29)28(24)2/h10,12,15-16,18-19,26H,3-9,11,13-14,17H2,1-2H3
InChIKeySTQVSNJUVZCJGU-UHFFFAOYSA-N
XLogP5.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.50
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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Related Compounds

6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;5-(trifluoromethyl)pyrimidine-2-carboxylic acid
CID 158083680
6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439797
5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 158392253
6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 150308947
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
1-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
CID 89448556
1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297285
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
6-[5-[[ethylsulfanyl(propan-2-yl)amino]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146605081
3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 71533637
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 151905560) is 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is CCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is STQVSNJUVZCJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-14-26-17-20-15-23(19-27-18-20)21-10-12-24-22(16-21)11-13-25(29)28(24)2/h10,12,15-16,18-19,26H,3-9,11,13-14,17H2,1-2H3.
What are the key properties of 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 393.58 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 151905560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).