1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide

C20H25N3O4 — CID 158551918

IUPAC1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
SMILESCc1cc(N)c2c(OC3CCCN(C(=O)C(C)C)C3)cccc2n1.O=C=O
InChIInChI=1S/C19H25N3O2.CO2/c1-12(2)19(23)22-9-5-6-14(11-22)24-17-8-4-7-16-18(17)15(20)10-13(3)21-16;2-1-3/h4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H2,20,21);
InChIKeyHPVCYJCEUCOYGP-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.57
Rot. Bonds3

About 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide

1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide (PubChem CID 158551918) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide.

Molecular Properties

Compound Name1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
PubChem CID158551918
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
SMILESCc1cc(N)c2c(OC3CCCN(C(=O)C(C)C)C3)cccc2n1.O=C=O
InChIInChI=1S/C19H25N3O2.CO2/c1-12(2)19(23)22-9-5-6-14(11-22)24-17-8-4-7-16-18(17)15(20)10-13(3)21-16;2-1-3/h4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H2,20,21);
InChIKeyHPVCYJCEUCOYGP-UHFFFAOYSA-N
XLogP2.57
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide 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

1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 58460342
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
CID 161340075
1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
CID 58460393
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
CID 121442457
2-methyl-1-[(3R)-3-(2-piperazin-1-ylphenoxy)piperidin-1-yl]propan-1-one
CID 58817400
carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 159704825
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
CID 121442437
4-(4-amino-2-methylquinolin-5-yl)oxy-1-cyclobutyl-3,3-dimethylbutan-2-one;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-methylpropanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]propanamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;octakis(carbon dioxide)
CID 158470521
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122260317
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
CID 121442417
2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide?
The IUPAC name of 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide (CID 158551918) is 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide.
What is the SMILES notation for 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide?
The canonical SMILES for 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide is Cc1cc(N)c2c(OC3CCCN(C(=O)C(C)C)C3)cccc2n1.O=C=O.
What is the InChIKey of 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide?
The InChIKey is HPVCYJCEUCOYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.CO2/c1-12(2)19(23)22-9-5-6-14(11-22)24-17-8-4-7-16-18(17)15(20)10-13(3)21-16;2-1-3/h4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H2,20,21);.
What are the key properties of 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide?
1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide has a molecular weight of 371.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide is sourced from PubChem (CID 158551918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).