(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

C21H25N3O2 — CID 135095200

IUPAC(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
SMILESCN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)nc3ccccc13)C2
InChIInChI=1S/C21H25N3O2/c1-23-9-14-10-24(11-16(23)13-26-12-14)21(25)18-8-20(15-6-7-15)22-19-5-3-2-4-17(18)19/h2-5,8,14-16H,6-7,9-13H2,1H3/t14-,16+/m1/s1
InChIKeyCYYDJSIGEOVGII-ZBFHGGJFSA-N
MW351.45 g/mol
LogP2.51
Rot. Bonds2

About (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone (PubChem CID 135095200) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
PubChem CID135095200
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
SMILESCN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)nc3ccccc13)C2
InChIInChI=1S/C21H25N3O2/c1-23-9-14-10-24(11-16(23)13-26-12-14)21(25)18-8-20(15-6-7-15)22-19-5-3-2-4-17(18)19/h2-5,8,14-16H,6-7,9-13H2,1H3/t14-,16+/m1/s1
InChIKeyCYYDJSIGEOVGII-ZBFHGGJFSA-N
XLogP2.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-methoxyquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135105873
(2-cyclopropylquinolin-4-yl)-[(6S)-6-hydroxy-1,4-oxazepan-4-yl]methanone
CID 97434231
(2-ethylphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 166624500
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534067
[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-quinoxalin-6-ylmethanone
CID 155505420
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803
(3-chloro-2-fluorophenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135108755
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone (CID 135095200) is (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone is CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)nc3ccccc13)C2.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
The InChIKey is CYYDJSIGEOVGII-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-9-14-10-24(11-16(23)13-26-12-14)21(25)18-8-20(15-6-7-15)22-19-5-3-2-4-17(18)19/h2-5,8,14-16H,6-7,9-13H2,1H3/t14-,16+/m1/s1.
What are the key properties of (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone is sourced from PubChem (CID 135095200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).