1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one

C17H19N3O — CID 81392821

IUPAC1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](NC1CC(=O)N(C)c2ccccc21)c1cccnc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-5-9-18-11-13)19-15-10-17(21)20(2)16-8-4-3-7-14(15)16/h3-9,11-12,15,19H,10H2,1-2H3/t12-,15?/m1/s1
InChIKeyXXZPLCSDVRNUCE-KEKZHRQWSA-N
MW281.36 g/mol
LogP2.84
Rot. Bonds3

About 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one

1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one (PubChem CID 81392821) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one
PubChem CID81392821
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](NC1CC(=O)N(C)c2ccccc21)c1cccnc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-5-9-18-11-13)19-15-10-17(21)20(2)16-8-4-3-7-14(15)16/h3-9,11-12,15,19H,10H2,1-2H3/t12-,15?/m1/s1
InChIKeyXXZPLCSDVRNUCE-KEKZHRQWSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358036
1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one
CID 43783931
1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one
CID 61472977
1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 43756603
1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 43637589
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 62119112
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one (CID 81392821) is 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one is C[C@@H](NC1CC(=O)N(C)c2ccccc21)c1cccnc1.
What is the InChIKey of 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one?
The InChIKey is XXZPLCSDVRNUCE-KEKZHRQWSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-6-5-9-18-11-13)19-15-10-17(21)20(2)16-8-4-3-7-14(15)16/h3-9,11-12,15,19H,10H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one?
1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 81392821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).