methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate

C24H22Cl2N2O4 — CID 155127449

IUPACmethyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)C(C)Oc2ccc3c(-c4ccccc4Cl)cc(Cl)nc3c2)C1
InChIInChI=1S/C24H22Cl2N2O4/c1-13(23(29)27-15-9-14(10-15)24(30)31-2)32-16-7-8-18-19(12-22(26)28-21(18)11-16)17-5-3-4-6-20(17)25/h3-8,11-15H,9-10H2,1-2H3,(H,27,29)
InChIKeyGXQHXBUGMADIKQ-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.04
Rot. Bonds6

About methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate

methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate (PubChem CID 155127449) has the molecular formula C24H22Cl2N2O4 and a molecular weight of 473.36 g/mol. Its IUPAC name is methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate
PubChem CID155127449
Molecular FormulaC24H22Cl2N2O4
Molecular Weight473.36 g/mol
Exact Mass472.10
IUPAC Namemethyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)C(C)Oc2ccc3c(-c4ccccc4Cl)cc(Cl)nc3c2)C1
InChIInChI=1S/C24H22Cl2N2O4/c1-13(23(29)27-15-9-14(10-15)24(30)31-2)32-16-7-8-18-19(12-22(26)28-21(18)11-16)17-5-3-4-6-20(17)25/h3-8,11-15H,9-10H2,1-2H3,(H,27,29)
InChIKeyGXQHXBUGMADIKQ-UHFFFAOYSA-N
XLogP5.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate 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

2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid
CID 155127568
tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate
CID 155141285
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide
CID 155119674
2-[1-[2-[4-(2-chlorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-4-yl]acetic acid
CID 155127773
2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600845
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
CID 97252685
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765895

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate (CID 155127449) is methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate is COC(=O)C1CC(NC(=O)C(C)Oc2ccc3c(-c4ccccc4Cl)cc(Cl)nc3c2)C1.
What is the InChIKey of methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate?
The InChIKey is GXQHXBUGMADIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4/c1-13(23(29)27-15-9-14(10-15)24(30)31-2)32-16-7-8-18-19(12-22(26)28-21(18)11-16)17-5-3-4-6-20(17)25/h3-8,11-15H,9-10H2,1-2H3,(H,27,29).
What are the key properties of methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate?
methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate has a molecular weight of 473.36 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate is sourced from PubChem (CID 155127449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).