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

C18H25N3O2 — CID 120809045

IUPAC1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
SMILESCC1(CN)CCN(C(=O)CCN2C(=O)CCc3ccccc32)C1
InChIInChI=1S/C18H25N3O2/c1-18(12-19)9-11-20(13-18)16(22)8-10-21-15-5-3-2-4-14(15)6-7-17(21)23/h2-5H,6-13,19H2,1H3
InChIKeyNEUAZXGADOXJDT-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.55
Rot. Bonds4

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

1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one (PubChem CID 120809045) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
PubChem CID120809045
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
SMILESCC1(CN)CCN(C(=O)CCN2C(=O)CCc3ccccc32)C1
InChIInChI=1S/C18H25N3O2/c1-18(12-19)9-11-20(13-18)16(22)8-10-21-15-5-3-2-4-14(15)6-7-17(21)23/h2-5H,6-13,19H2,1H3
InChIKeyNEUAZXGADOXJDT-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 111435932
4-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 120809461
1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166747
1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 119644540
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119565152
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 120809227
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
1-[4-oxo-4-[(6R)-2,2,6-trimethylmorpholin-4-yl]butyl]-3,4-dihydroquinolin-2-one
CID 95317533
3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
CID 120806842
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 120809401
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one (CID 120809045) is 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one is CC1(CN)CCN(C(=O)CCN2C(=O)CCc3ccccc32)C1.
What is the InChIKey of 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The InChIKey is NEUAZXGADOXJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(12-19)9-11-20(13-18)16(22)8-10-21-15-5-3-2-4-14(15)6-7-17(21)23/h2-5H,6-13,19H2,1H3.
What are the key properties of 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 120809045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).