trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide

C18H18N4O — CID 126802871

IUPACtrans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc2ncccc12
InChIInChI=1S/C18H18N4O/c1-21-11-12(10-20-21)14-9-15(14)18(23)22(2)17-7-3-6-16-13(17)5-4-8-19-16/h3-8,10-11,14-15H,9H2,1-2H3/t14-,15+/m0/s1
InChIKeyIYYQYFWUUJVATP-LSDHHAIUSA-N
MW306.37 g/mol
LogP2.73
Rot. Bonds3

About trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide (PubChem CID 126802871) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide
PubChem CID126802871
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Nametrans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc2ncccc12
InChIInChI=1S/C18H18N4O/c1-21-11-12(10-20-21)14-9-15(14)18(23)22(2)17-7-3-6-16-13(17)5-4-8-19-16/h3-8,10-11,14-15H,9H2,1-2H3/t14-,15+/m0/s1
InChIKeyIYYQYFWUUJVATP-LSDHHAIUSA-N
XLogP2.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide (CID 126802871) is trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide is CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc2ncccc12.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide?
The InChIKey is IYYQYFWUUJVATP-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21-11-12(10-20-21)14-9-15(14)18(23)22(2)17-7-3-6-16-13(17)5-4-8-19-16/h3-8,10-11,14-15H,9H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 126802871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).