3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one

C23H27N3O2 — CID 11625042

IUPAC3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C23H27N3O2/c1-15-3-4-17-13-18(23(28)25-22(17)16(15)2)14-24-19-5-7-20(8-6-19)26-11-9-21(27)10-12-26/h3-8,13,21,24,27H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyORHUXVOKDVCDMW-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.72
Rot. Bonds4

About 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 11625042) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one
PubChem CID11625042
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C23H27N3O2/c1-15-3-4-17-13-18(23(28)25-22(17)16(15)2)14-24-19-5-7-20(8-6-19)26-11-9-21(27)10-12-26/h3-8,13,21,24,27H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyORHUXVOKDVCDMW-UHFFFAOYSA-N
XLogP3.72
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.72
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

3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-8-methyl-1H-quinolin-2-one
CID 11717523
7,8-dimethyl-3-[[4-(4-methylpiperazin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 95855619
5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46950102
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 95855654
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 46950123
6-tert-butyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46950100
7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 855490
7,8-dimethyl-3-[[(2-methylcyclohexyl)amino]methyl]-1H-quinolin-2-one
CID 3168144
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate
CID 95855609
3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318836

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 11625042) is 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2c1C.
What is the InChIKey of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The InChIKey is ORHUXVOKDVCDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-3-4-17-13-18(23(28)25-22(17)16(15)2)14-24-19-5-7-20(8-6-19)26-11-9-21(27)10-12-26/h3-8,13,21,24,27H,9-12,14H2,1-2H3,(H,25,28).
What are the key properties of 3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.72, 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]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 11625042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).