1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one

C20H23N5O — CID 146145187

IUPAC1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one
SMILESCn1c(=O)c(CNC2CCN(c3cccnn3)CC2)cc2ccccc21
InChIInChI=1S/C20H23N5O/c1-24-18-6-3-2-5-15(18)13-16(20(24)26)14-21-17-8-11-25(12-9-17)19-7-4-10-22-23-19/h2-7,10,13,17,21H,8-9,11-12,14H2,1H3
InChIKeyLFGNFQRKXXWKOU-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.09
Rot. Bonds4

About 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one

1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one (PubChem CID 146145187) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one
PubChem CID146145187
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one
SMILESCn1c(=O)c(CNC2CCN(c3cccnn3)CC2)cc2ccccc21
InChIInChI=1S/C20H23N5O/c1-24-18-6-3-2-5-15(18)13-16(20(24)26)14-21-17-8-11-25(12-9-17)19-7-4-10-22-23-19/h2-7,10,13,17,21H,8-9,11-12,14H2,1H3
InChIKeyLFGNFQRKXXWKOU-UHFFFAOYSA-N
XLogP2.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one with MolForge

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Related Compounds

N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 155502909
4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122015078
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
CID 154780356
1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
CID 10135726
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one (CID 146145187) is 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one is Cn1c(=O)c(CNC2CCN(c3cccnn3)CC2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one?
The InChIKey is LFGNFQRKXXWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-18-6-3-2-5-15(18)13-16(20(24)26)14-21-17-8-11-25(12-9-17)19-7-4-10-22-23-19/h2-7,10,13,17,21H,8-9,11-12,14H2,1H3.
What are the key properties of 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one?
1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one is sourced from PubChem (CID 146145187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).