1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid

C18H19IN2O4 — CID 155127729

IUPAC1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](Oc1ccc2c(I)ccnc2c1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H19IN2O4/c1-11(17(22)21-8-2-3-12(10-21)18(23)24)25-13-4-5-14-15(19)6-7-20-16(14)9-13/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,23,24)/t11-,12?/m1/s1
InChIKeyYQEKONXCXJGEMY-JHJMLUEUSA-N
MW454.26 g/mol
LogP2.93
Rot. Bonds4

About 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid

1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid (PubChem CID 155127729) has the molecular formula C18H19IN2O4 and a molecular weight of 454.26 g/mol. Its IUPAC name is 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid
PubChem CID155127729
Molecular FormulaC18H19IN2O4
Molecular Weight454.26 g/mol
Exact Mass454.04
IUPAC Name1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](Oc1ccc2c(I)ccnc2c1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H19IN2O4/c1-11(17(22)21-8-2-3-12(10-21)18(23)24)25-13-4-5-14-15(19)6-7-20-16(14)9-13/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,23,24)/t11-,12?/m1/s1
InChIKeyYQEKONXCXJGEMY-JHJMLUEUSA-N
XLogP2.93
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid 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

(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
(3S)-1-[2-(3-tert-butylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119174186
(3S)-1-[(2R)-2-[1-chloro-4-(2-chloro-4-fluorophenyl)isoquinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 167498321
2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 170264478
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 155694793
2-[(3R)-1-[(2R)-2-[4-[2-(dimethylamino)phenyl]quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 155127467
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 155694760
2-[(3R)-1-[2-[4-(2-cyanophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 155127469

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid (CID 155127729) is 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid is C[C@@H](Oc1ccc2c(I)ccnc2c1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid?
The InChIKey is YQEKONXCXJGEMY-JHJMLUEUSA-N. The full InChI is InChI=1S/C18H19IN2O4/c1-11(17(22)21-8-2-3-12(10-21)18(23)24)25-13-4-5-14-15(19)6-7-20-16(14)9-13/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,23,24)/t11-,12?/m1/s1.
What are the key properties of 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid?
1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid has a molecular weight of 454.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155127729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).