3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one

C22H25N3O2 — CID 11717523

IUPAC3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c12
InChIInChI=1S/C22H25N3O2/c1-15-3-2-4-16-13-17(22(27)24-21(15)16)14-23-18-5-7-19(8-6-18)25-11-9-20(26)10-12-25/h2-8,13,20,23,26H,9-12,14H2,1H3,(H,24,27)
InChIKeyDZPJECLRUCIXCM-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.41
Rot. Bonds4

About 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one

3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 11717523) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID11717523
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c12
InChIInChI=1S/C22H25N3O2/c1-15-3-2-4-16-13-17(22(27)24-21(15)16)14-23-18-5-7-19(8-6-18)25-11-9-20(26)10-12-25/h2-8,13,20,23,26H,9-12,14H2,1H3,(H,24,27)
InChIKeyDZPJECLRUCIXCM-UHFFFAOYSA-N
XLogP3.41
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453546
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 138456905
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-phenethyl-acetamide
CID 858519
1-(Morpholin-2-ylmethyl)-4-phenylquinolin-2-one
CID 71566843
N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide
CID 71566979
N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 90654545
4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide
CID 90654547
1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735889
8-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176404
6-Methyl-4-phenyl-3-(piperidin-1-ylmethyl)quinolin-2-ol
CID 788319
3-Benzyl-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-(2-hydroxy-ethyl)-urea
CID 646947
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-phenethyl-propionamide
CID 860666

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one (CID 11717523) is 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c12.
What is the InChIKey of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is DZPJECLRUCIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-3-2-4-16-13-17(22(27)24-21(15)16)14-23-18-5-7-19(8-6-18)25-11-9-20(26)10-12-25/h2-8,13,20,23,26H,9-12,14H2,1H3,(H,24,27).
What are the key properties of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 11717523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).