7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one

C16H24N4O — CID 43449739

IUPAC7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCC(N(C)c2cc3c(cc2N)NC(=O)CC3)CC1
InChIInChI=1S/C16H24N4O/c1-19-7-5-12(6-8-19)20(2)15-9-11-3-4-16(21)18-14(11)10-13(15)17/h9-10,12H,3-8,17H2,1-2H3,(H,18,21)
InChIKeyQARXXRSLEPCDRL-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.68
Rot. Bonds2

About 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449739) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449739
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCC(N(C)c2cc3c(cc2N)NC(=O)CC3)CC1
InChIInChI=1S/C16H24N4O/c1-19-7-5-12(6-8-19)20(2)15-9-11-3-4-16(21)18-14(11)10-13(15)17/h9-10,12H,3-8,17H2,1-2H3,(H,18,21)
InChIKeyQARXXRSLEPCDRL-UHFFFAOYSA-N
XLogP1.68
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 43449739) is 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one is CN1CCC(N(C)c2cc3c(cc2N)NC(=O)CC3)CC1.
What is the InChIKey of 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QARXXRSLEPCDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-7-5-12(6-8-19)20(2)15-9-11-3-4-16(21)18-14(11)10-13(15)17/h9-10,12H,3-8,17H2,1-2H3,(H,18,21).
What are the key properties of 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).