7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one

C16H23N3O — CID 117436405

IUPAC7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(C3CC(CN)CN3C)cc21
InChIInChI=1S/C16H23N3O/c1-18-10-11(9-17)7-14(18)13-4-3-12-5-6-16(20)19(2)15(12)8-13/h3-4,8,11,14H,5-7,9-10,17H2,1-2H3
InChIKeyXGSWTMVJWWKKAA-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.55
Rot. Bonds2

About 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one

7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117436405) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117436405
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(C3CC(CN)CN3C)cc21
InChIInChI=1S/C16H23N3O/c1-18-10-11(9-17)7-14(18)13-4-3-12-5-6-16(20)19(2)15(12)8-13/h3-4,8,11,14H,5-7,9-10,17H2,1-2H3
InChIKeyXGSWTMVJWWKKAA-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
CID 117438743
[5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117368584
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine
CID 117411258
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
CID 117431684
[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434114
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 117467670
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one
CID 117438738

Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one (CID 117436405) is 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2ccc(C3CC(CN)CN3C)cc21.
What is the InChIKey of 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is XGSWTMVJWWKKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-10-11(9-17)7-14(18)13-4-3-12-5-6-16(20)19(2)15(12)8-13/h3-4,8,11,14H,5-7,9-10,17H2,1-2H3.
What are the key properties of 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one?
7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117436405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).