cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C20H23N3O — CID 98787032

IUPACcis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCN1CCCc2cc(CNC(=O)[C@H]3C[C@H]3c3cccnc3)ccc21
InChIInChI=1S/C20H23N3O/c1-23-9-3-5-15-10-14(6-7-19(15)23)12-22-20(24)18-11-17(18)16-4-2-8-21-13-16/h2,4,6-8,10,13,17-18H,3,5,9,11-12H2,1H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyQUNSTIZNBFJURZ-ROUUACIJSA-N
MW321.42 g/mol
LogP2.88
Rot. Bonds4

About cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 98787032) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID98787032
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Namecis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCN1CCCc2cc(CNC(=O)[C@H]3C[C@H]3c3cccnc3)ccc21
InChIInChI=1S/C20H23N3O/c1-23-9-3-5-15-10-14(6-7-19(15)23)12-22-20(24)18-11-17(18)16-4-2-8-21-13-16/h2,4,6-8,10,13,17-18H,3,5,9,11-12H2,1H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyQUNSTIZNBFJURZ-ROUUACIJSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-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 cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 98787032) is cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]3c3cccnc3)ccc21.
What is the InChIKey of cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is QUNSTIZNBFJURZ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23-9-3-5-15-10-14(6-7-19(15)23)12-22-20(24)18-11-17(18)16-4-2-8-21-13-16/h2,4,6-8,10,13,17-18H,3,5,9,11-12H2,1H3,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 98787032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).