4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide

C29H27ClN2O5 — CID 58272154

IUPAC4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide
SMILESCCCC(=O)Cc1ccc(Oc2ccnc3cc(OCc4ccccc4)c(C(=O)NOC)cc23)cc1Cl
InChIInChI=1S/C29H27ClN2O5/c1-3-7-21(33)14-20-10-11-22(15-25(20)30)37-27-12-13-31-26-17-28(36-18-19-8-5-4-6-9-19)24(16-23(26)27)29(34)32-35-2/h4-6,8-13,15-17H,3,7,14,18H2,1-2H3,(H,32,34)
InChIKeyHVDAAPIUUCALDG-UHFFFAOYSA-N
MW519.00 g/mol
LogP6.46
Rot. Bonds11

About 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide

4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide (PubChem CID 58272154) has the molecular formula C29H27ClN2O5 and a molecular weight of 519.00 g/mol. Its IUPAC name is 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide
PubChem CID58272154
Molecular FormulaC29H27ClN2O5
Molecular Weight519.00 g/mol
Exact Mass518.16
IUPAC Name4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide
SMILESCCCC(=O)Cc1ccc(Oc2ccnc3cc(OCc4ccccc4)c(C(=O)NOC)cc23)cc1Cl
InChIInChI=1S/C29H27ClN2O5/c1-3-7-21(33)14-20-10-11-22(15-25(20)30)37-27-12-13-31-26-17-28(36-18-19-8-5-4-6-9-19)24(16-23(26)27)29(34)32-35-2/h4-6,8-13,15-17H,3,7,14,18H2,1-2H3,(H,32,34)
InChIKeyHVDAAPIUUCALDG-UHFFFAOYSA-N
XLogP6.46
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide 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
7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
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
N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824184
3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
CID 24956953
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide (CID 58272154) is 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide is CCCC(=O)Cc1ccc(Oc2ccnc3cc(OCc4ccccc4)c(C(=O)NOC)cc23)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide?
The InChIKey is HVDAAPIUUCALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O5/c1-3-7-21(33)14-20-10-11-22(15-25(20)30)37-27-12-13-31-26-17-28(36-18-19-8-5-4-6-9-19)24(16-23(26)27)29(34)32-35-2/h4-6,8-13,15-17H,3,7,14,18H2,1-2H3,(H,32,34).
What are the key properties of 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide?
4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide has a molecular weight of 519.00 g/mol, XLogP of 6.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide is sourced from PubChem (CID 58272154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).