N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide

C26H23ClN2O4 — CID 142073553

IUPACN-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide
SMILESCOc1cc2nccc(Oc3ccc(CCC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC
InChIInChI=1S/C26H23ClN2O4/c1-31-24-15-21-22(16-25(24)32-2)28-14-13-23(21)33-20-10-3-17(4-11-20)5-12-26(30)29-19-8-6-18(27)7-9-19/h3-4,6-11,13-16H,5,12H2,1-2H3,(H,29,30)
InChIKeyLOWGRBDLTXMRQD-UHFFFAOYSA-N
MW462.93 g/mol
LogP6.27
Rot. Bonds8

About N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide

N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide (PubChem CID 142073553) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide
PubChem CID142073553
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC NameN-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide
SMILESCOc1cc2nccc(Oc3ccc(CCC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC
InChIInChI=1S/C26H23ClN2O4/c1-31-24-15-21-22(16-25(24)32-2)28-14-13-23(21)33-20-10-3-17(4-11-20)5-12-26(30)29-19-8-6-18(27)7-9-19/h3-4,6-11,13-16H,5,12H2,1-2H3,(H,29,30)
InChIKeyLOWGRBDLTXMRQD-UHFFFAOYSA-N
XLogP6.27
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
CID 90768602
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-(3-chlorophenyl)-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]acetamide
CID 59791998
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide
CID 151588460
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
2-(4-chlorophenoxy)-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]-2-methyl-N-sulfanylpropanamide
CID 87925157
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
1-(3-chlorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pentane-2,4-dione
CID 58249375

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide (CID 142073553) is N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide is COc1cc2nccc(Oc3ccc(CCC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide?
The InChIKey is LOWGRBDLTXMRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-31-24-15-21-22(16-25(24)32-2)28-14-13-23(21)33-20-10-3-17(4-11-20)5-12-26(30)29-19-8-6-18(27)7-9-19/h3-4,6-11,13-16H,5,12H2,1-2H3,(H,29,30).
What are the key properties of N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide?
N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide has a molecular weight of 462.93 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 142073553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).