(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide

C18H19IN2O — CID 126537248

IUPAC(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide
SMILESO=C(Nc1ccccc1)[C@H](I)CN1CCCc2ccccc21
InChIInChI=1S/C18H19IN2O/c19-16(18(22)20-15-9-2-1-3-10-15)13-21-12-6-8-14-7-4-5-11-17(14)21/h1-5,7,9-11,16H,6,8,12-13H2,(H,20,22)/t16-/m1/s1
InChIKeyZOGIHUDNZFUMPC-MRXNPFEDSA-N
MW406.27 g/mol
LogP3.88
Rot. Bonds4

About (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide

(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide (PubChem CID 126537248) has the molecular formula C18H19IN2O and a molecular weight of 406.27 g/mol. Its IUPAC name is (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide
PubChem CID126537248
Molecular FormulaC18H19IN2O
Molecular Weight406.27 g/mol
Exact Mass406.05
IUPAC Name(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide
SMILESO=C(Nc1ccccc1)[C@H](I)CN1CCCc2ccccc21
InChIInChI=1S/C18H19IN2O/c19-16(18(22)20-15-9-2-1-3-10-15)13-21-12-6-8-14-7-4-5-11-17(14)21/h1-5,7,9-11,16H,6,8,12-13H2,(H,20,22)/t16-/m1/s1
InChIKeyZOGIHUDNZFUMPC-MRXNPFEDSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109035049
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929496
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide?
The IUPAC name of (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide (CID 126537248) is (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide.
What is the SMILES notation for (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide?
The canonical SMILES for (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide is O=C(Nc1ccccc1)[C@H](I)CN1CCCc2ccccc21.
What is the InChIKey of (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide?
The InChIKey is ZOGIHUDNZFUMPC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19IN2O/c19-16(18(22)20-15-9-2-1-3-10-15)13-21-12-6-8-14-7-4-5-11-17(14)21/h1-5,7,9-11,16H,6,8,12-13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide?
(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide has a molecular weight of 406.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide is sourced from PubChem (CID 126537248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).