(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide

C19H21FN4O2 — CID 118006621

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCCCF)O1
InChIInChI=1S/C19H21FN4O2/c1-13-11-24(12-17(26-13)19(25)23-9-3-7-20)16-6-5-14(10-21)18-15(16)4-2-8-22-18/h2,4-6,8,13,17H,3,7,9,11-12H2,1H3,(H,23,25)/t13-,17-/m1/s1
InChIKeyOZQZSLWIGYBZRN-CXAGYDPISA-N
MW356.40 g/mol
LogP2.18
Rot. Bonds5

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide (PubChem CID 118006621) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide
PubChem CID118006621
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCCCF)O1
InChIInChI=1S/C19H21FN4O2/c1-13-11-24(12-17(26-13)19(25)23-9-3-7-20)16-6-5-14(10-21)18-15(16)4-2-8-22-18/h2,4-6,8,13,17H,3,7,9,11-12H2,1H3,(H,23,25)/t13-,17-/m1/s1
InChIKeyOZQZSLWIGYBZRN-CXAGYDPISA-N
XLogP2.18
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide 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

N-[2-cyano-4-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]acetamide
CID 132020056
N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4,6-difluorophenyl]-2-methoxyacetamide
CID 140836951
methyl N-[2-[4-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-cyanophenyl]carbamate
CID 140836965
3-[4-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 140837146
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide
CID 118006889
6-Fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002537
US10071974, Example 11
CID 121346612
US10577336, Example 8
CID 121346616
N-[2-cyano-4-[4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]acetamide
CID 132020205
US10071974, Example 8
CID 132103945
1-(3-cyano-6-methylquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 45500967
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45501075

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide (CID 118006621) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCCCF)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide?
The InChIKey is OZQZSLWIGYBZRN-CXAGYDPISA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13-11-24(12-17(26-13)19(25)23-9-3-7-20)16-6-5-14(10-21)18-15(16)4-2-8-22-18/h2,4-6,8,13,17H,3,7,9,11-12H2,1H3,(H,23,25)/t13-,17-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(3-fluoropropyl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118006621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).