4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one

C15H18N2O — CID 81244227

IUPAC4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CC2(C)C)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-15(2)9-13(15)16-11-8-14(18)17(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3
InChIKeyQFWJSTXNPOMBGG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.75
Rot. Bonds2

About 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one

4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one (PubChem CID 81244227) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one
PubChem CID81244227
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CC2(C)C)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-15(2)9-13(15)16-11-8-14(18)17(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3
InChIKeyQFWJSTXNPOMBGG-UHFFFAOYSA-N
XLogP2.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one
CID 81243745
1-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]quinolin-2-one
CID 106258245
4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one
CID 81237084
4-[(1,1-dioxothian-3-yl)amino]-1-methylquinolin-2-one
CID 81244475
4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one
CID 106362280
1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one
CID 81244583
4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one
CID 81243521
1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one
CID 81244561
1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one
CID 81244322
4-(3-aminobutylamino)-1-methylquinolin-2-one
CID 81237638
4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one
CID 81243675

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one?
The IUPAC name of 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one (CID 81244227) is 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one?
The canonical SMILES for 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one is Cn1c(=O)cc(NC2CC2(C)C)c2ccccc21.
What is the InChIKey of 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one?
The InChIKey is QFWJSTXNPOMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2)9-13(15)16-11-8-14(18)17(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one?
4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one is sourced from PubChem (CID 81244227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).