3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one

C19H21N3O — CID 155952053

IUPAC3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1cnc(CCNCc2cc3ccccc3[nH]c2=O)c(C)c1
InChIInChI=1S/C19H21N3O/c1-13-9-14(2)17(21-11-13)7-8-20-12-16-10-15-5-3-4-6-18(15)22-19(16)23/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,22,23)
InChIKeyRTUNQLKBVUQLEY-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.87
Rot. Bonds5

About 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one

3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one (PubChem CID 155952053) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one
PubChem CID155952053
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1cnc(CCNCc2cc3ccccc3[nH]c2=O)c(C)c1
InChIInChI=1S/C19H21N3O/c1-13-9-14(2)17(21-11-13)7-8-20-12-16-10-15-5-3-4-6-18(15)22-19(16)23/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,22,23)
InChIKeyRTUNQLKBVUQLEY-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
CID 63829701
3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 167878867
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
CID 63280022
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one
CID 119136098
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one (CID 155952053) is 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one is Cc1cnc(CCNCc2cc3ccccc3[nH]c2=O)c(C)c1.
What is the InChIKey of 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one?
The InChIKey is RTUNQLKBVUQLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-9-14(2)17(21-11-13)7-8-20-12-16-10-15-5-3-4-6-18(15)22-19(16)23/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,22,23).
What are the key properties of 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one?
3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one has a molecular weight of 307.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 155952053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).