N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide

C19H25N3O2 — CID 95928324

IUPACN-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C19H25N3O2/c1-15-6-7-16-4-2-3-5-17(16)22(15)11-8-18(23)21-19(14-20)9-12-24-13-10-19/h2-5,15H,6-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyZTPJMMBWTUVJHL-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.41
Rot. Bonds4

About N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide

N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide (PubChem CID 95928324) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
PubChem CID95928324
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C19H25N3O2/c1-15-6-7-16-4-2-3-5-17(16)22(15)11-8-18(23)21-19(14-20)9-12-24-13-10-19/h2-5,15H,6-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyZTPJMMBWTUVJHL-HNNXBMFYSA-N
XLogP2.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide (CID 95928324) is N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide is C[C@H]1CCc2ccccc2N1CCC(=O)NC1(C#N)CCOCC1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The InChIKey is ZTPJMMBWTUVJHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-6-7-16-4-2-3-5-17(16)22(15)11-8-18(23)21-19(14-20)9-12-24-13-10-19/h2-5,15H,6-13H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide?
N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide is sourced from PubChem (CID 95928324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).