4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide

C29H23ClN2O5 — CID 59813624

IUPAC4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5OC)ccc4c3)c2cc1OC
InChIInChI=1S/C29H23ClN2O5/c1-34-26-14-19(30)6-9-22(26)29(33)32-20-7-4-18-13-21(8-5-17(18)12-20)37-25-10-11-31-24-16-28(36-3)27(35-2)15-23(24)25/h4-16H,1-3H3,(H,32,33)
InChIKeyICVFRFHRVQZNSD-UHFFFAOYSA-N
MW514.97 g/mol
LogP7.11
Rot. Bonds7

About 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide

4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide (PubChem CID 59813624) has the molecular formula C29H23ClN2O5 and a molecular weight of 514.97 g/mol. Its IUPAC name is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
PubChem CID59813624
Molecular FormulaC29H23ClN2O5
Molecular Weight514.97 g/mol
Exact Mass514.13
IUPAC Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5OC)ccc4c3)c2cc1OC
InChIInChI=1S/C29H23ClN2O5/c1-34-26-14-19(30)6-9-22(26)29(33)32-20-7-4-18-13-21(8-5-17(18)12-20)37-25-10-11-31-24-16-28(36-3)27(35-2)15-23(24)25/h4-16H,1-3H3,(H,32,33)
InChIKeyICVFRFHRVQZNSD-UHFFFAOYSA-N
XLogP7.11
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.97
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
CID 59813597
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
5-chloro-N-[7-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-2-yl]pyridine-3-carboxamide
CID 143083672
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
(Z)-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-(methylideneamino)-2-methylsulfanylbut-2-enamide
CID 143083798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide (CID 59813624) is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide is COc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5OC)ccc4c3)c2cc1OC.
What is the InChIKey of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide?
The InChIKey is ICVFRFHRVQZNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O5/c1-34-26-14-19(30)6-9-22(26)29(33)32-20-7-4-18-13-21(8-5-17(18)12-20)37-25-10-11-31-24-16-28(36-3)27(35-2)15-23(24)25/h4-16H,1-3H3,(H,32,33).
What are the key properties of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide?
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide has a molecular weight of 514.97 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 59813624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).