4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

C16H22N2O3 — CID 107386431

IUPAC4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC2COC(C)(C)O2)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-16(2)20-10-11(21-16)9-17-13-8-15(19)18(3)14-7-5-4-6-12(13)14/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyRKXWSMQWXQKZNB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds3

About 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 107386431) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID107386431
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC2COC(C)(C)O2)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-16(2)20-10-11(21-16)9-17-13-8-15(19)18(3)14-7-5-4-6-12(13)14/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyRKXWSMQWXQKZNB-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107386387
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
1-methyl-4-(thian-2-ylmethylamino)-3,4-dihydroquinolin-2-one
CID 80596579
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115715625
1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 80726722
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 65102974
1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 63981224
1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 115895572

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (CID 107386431) is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NCC2COC(C)(C)O2)c2ccccc21.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is RKXWSMQWXQKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2)20-10-11(21-16)9-17-13-8-15(19)18(3)14-7-5-4-6-12(13)14/h4-7,11,13,17H,8-10H2,1-3H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 107386431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).