tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate

C35H42ClN3O6 — CID 58272936

IUPACtert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate
SMILESCCNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)ccnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C35H42ClN3O6/c1-5-37-33(41)28-19-27-30(20-32(28)43-21-23-11-14-39(15-12-23)34(42)45-35(2,3)4)38-13-10-31(27)44-26-9-8-24(29(36)18-26)17-25(40)16-22-6-7-22/h8-10,13,18-20,22-23H,5-7,11-12,14-17,21H2,1-4H3,(H,37,41)
InChIKeyNOGQBEICJTYKSM-UHFFFAOYSA-N
MW636.19 g/mol
LogP7.37
Rot. Bonds11

About tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 58272936) has the molecular formula C35H42ClN3O6 and a molecular weight of 636.19 g/mol. Its IUPAC name is tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID58272936
Molecular FormulaC35H42ClN3O6
Molecular Weight636.19 g/mol
Exact Mass635.28
IUPAC Nametert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate
SMILESCCNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)ccnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C35H42ClN3O6/c1-5-37-33(41)28-19-27-30(20-32(28)43-21-23-11-14-39(15-12-23)34(42)45-35(2,3)4)38-13-10-31(27)44-26-9-8-24(29(36)18-26)17-25(40)16-22-6-7-22/h8-10,13,18-20,22-23H,5-7,11-12,14-17,21H2,1-4H3,(H,37,41)
InChIKeyNOGQBEICJTYKSM-UHFFFAOYSA-N
XLogP7.37
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.19
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-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

Lenvatinib
CID 9823820
Zanzalintinib
CID 139350422
Lenvatinib Mesylate
CID 11237762
4-[5-(Cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 11750694
4-[5-[(4-Chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824452
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide
CID 52940860
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52941668
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
CID 52944070
1-N'-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 134334010
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 52948268
4-[3-Chloro-5-[[1-[(4-fluorophenyl)carbamoyl]cyclo-propanecarbonyl]amino]pyridin-2-yl]oxy-7-methoxyquinoline-6-carboxylic acid
CID 139348662

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate (CID 58272936) is tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate is CCNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)ccnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is NOGQBEICJTYKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN3O6/c1-5-37-33(41)28-19-27-30(20-32(28)43-21-23-11-14-39(15-12-23)34(42)45-35(2,3)4)38-13-10-31(27)44-26-9-8-24(29(36)18-26)17-25(40)16-22-6-7-22/h8-10,13,18-20,22-23H,5-7,11-12,14-17,21H2,1-4H3,(H,37,41).
What are the key properties of tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 636.19 g/mol, XLogP of 7.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-6-(ethylcarbamoyl)quinolin-7-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58272936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).