4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide

C28H20ClN3O4 — CID 24822268

IUPAC4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C28H20ClN3O4/c1-35-26-15-24-22(14-23(26)27(30)33)25(11-12-31-24)36-19-9-10-20-16(13-19)3-2-4-21(20)28(34)32-18-7-5-17(29)6-8-18/h2-15H,1H3,(H2,30,33)(H,32,34)
InChIKeyUTUQVVOKHILSBX-UHFFFAOYSA-N
MW497.94 g/mol
LogP6.19
Rot. Bonds6

About 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide

4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide (PubChem CID 24822268) has the molecular formula C28H20ClN3O4 and a molecular weight of 497.94 g/mol. Its IUPAC name is 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
PubChem CID24822268
Molecular FormulaC28H20ClN3O4
Molecular Weight497.94 g/mol
Exact Mass497.11
IUPAC Name4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C28H20ClN3O4/c1-35-26-15-24-22(14-23(26)27(30)33)25(11-12-31-24)36-19-9-10-20-16(13-19)3-2-4-21(20)28(34)32-18-7-5-17(29)6-8-18/h2-15H,1H3,(H2,30,33)(H,32,34)
InChIKeyUTUQVVOKHILSBX-UHFFFAOYSA-N
XLogP6.19
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.94
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
7-methoxy-4-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101843
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 160978849
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813234
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101831
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide (CID 24822268) is 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1C(N)=O.
What is the InChIKey of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The InChIKey is UTUQVVOKHILSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN3O4/c1-35-26-15-24-22(14-23(26)27(30)33)25(11-12-31-24)36-19-9-10-20-16(13-19)3-2-4-21(20)28(34)32-18-7-5-17(29)6-8-18/h2-15H,1H3,(H2,30,33)(H,32,34).
What are the key properties of 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide has a molecular weight of 497.94 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 24822268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).