1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C18H27N3O — CID 118660148

IUPAC1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCCC3C)cc2C(N)C(C)C1C
InChIInChI=1S/C18H27N3O/c1-11-6-5-9-20(11)15-7-8-17-16(10-15)18(19)12(2)13(3)21(17)14(4)22/h7-8,10-13,18H,5-6,9,19H2,1-4H3
InChIKeyGTKXJHMOEPEALP-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.07
Rot. Bonds1

About 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118660148) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID118660148
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCCC3C)cc2C(N)C(C)C1C
InChIInChI=1S/C18H27N3O/c1-11-6-5-9-20(11)15-7-8-17-16(10-15)18(19)12(2)13(3)21(17)14(4)22/h7-8,10-13,18H,5-6,9,19H2,1-4H3
InChIKeyGTKXJHMOEPEALP-UHFFFAOYSA-N
XLogP3.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
CID 118673169
N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide
CID 90434637
1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 85472011
3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
CID 81308775
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
2-methyl-5-(2-methylpyrrolidin-1-yl)benzoic acid
CID 79679880
1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone
CID 123774733
1-[(2S,3R,4R)-4-amino-2-cyclopropyl-6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660494
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927
1-[(3R,4R)-4-amino-2-ethyl-3-methyl-6-(oxepan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144701857
1-[6-chloro-4-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethanone
CID 175597614
3-bromo-4-(2-methylpiperidin-1-yl)benzamide
CID 169336360

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118660148) is 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(N3CCCC3C)cc2C(N)C(C)C1C.
What is the InChIKey of 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is GTKXJHMOEPEALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-11-6-5-9-20(11)15-7-8-17-16(10-15)18(19)12(2)13(3)21(17)14(4)22/h7-8,10-13,18H,5-6,9,19H2,1-4H3.
What are the key properties of 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118660148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).