1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one

C20H27N3O4 — CID 92610986

IUPAC1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](c2nc3cc(OC)c(OC)cc3cc2N)C1
InChIInChI=1S/C20H27N3O4/c1-25-8-6-19(24)23-7-4-5-13(12-23)20-15(21)9-14-10-17(26-2)18(27-3)11-16(14)22-20/h9-11,13H,4-8,12,21H2,1-3H3/t13-/m1/s1
InChIKeyIUJGAVWKKGJXSR-CYBMUJFWSA-N
MW373.45 g/mol
LogP2.58
Rot. Bonds6

About 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one

1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 92610986) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID92610986
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](c2nc3cc(OC)c(OC)cc3cc2N)C1
InChIInChI=1S/C20H27N3O4/c1-25-8-6-19(24)23-7-4-5-13(12-23)20-15(21)9-14-10-17(26-2)18(27-3)11-16(14)22-20/h9-11,13H,4-8,12,21H2,1-3H3/t13-/m1/s1
InChIKeyIUJGAVWKKGJXSR-CYBMUJFWSA-N
XLogP2.58
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone
CID 95802646
1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110222568
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092743
2-[3-[1-(3-methoxypropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119065402
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
CID 110222612
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
3-methoxy-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256428
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one (CID 92610986) is 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC[C@@H](c2nc3cc(OC)c(OC)cc3cc2N)C1.
What is the InChIKey of 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is IUJGAVWKKGJXSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-25-8-6-19(24)23-7-4-5-13(12-23)20-15(21)9-14-10-17(26-2)18(27-3)11-16(14)22-20/h9-11,13H,4-8,12,21H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 373.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 92610986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).