4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide

C30H25N3O4 — CID 175933294

IUPAC4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C)c(C)c5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C30H25N3O4/c1-17-7-8-20(13-18(17)2)33-30(35)23-6-4-5-19-14-21(9-10-22(19)23)37-27-11-12-32-26-16-28(36-3)25(29(31)34)15-24(26)27/h4-16H,1-3H3,(H2,31,34)(H,33,35)
InChIKeyBKVPBEQHFWLDMV-UHFFFAOYSA-N
MW491.55 g/mol
LogP6.16
Rot. Bonds6

About 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide

4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide (PubChem CID 175933294) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
PubChem CID175933294
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC Name4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C)c(C)c5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C30H25N3O4/c1-17-7-8-20(13-18(17)2)33-30(35)23-6-4-5-19-14-21(9-10-22(19)23)37-27-11-12-32-26-16-28(36-3)25(29(31)34)15-24(26)27/h4-16H,1-3H3,(H2,31,34)(H,33,35)
InChIKeyBKVPBEQHFWLDMV-UHFFFAOYSA-N
XLogP6.16
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
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
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101831
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 69446942
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide (CID 175933294) is 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C)c(C)c5)cccc4c3)c2cc1C(N)=O.
What is the InChIKey of 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The InChIKey is BKVPBEQHFWLDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-17-7-8-20(13-18(17)2)33-30(35)23-6-4-5-19-14-21(9-10-22(19)23)37-27-11-12-32-26-16-28(36-3)25(29(31)34)15-24(26)27/h4-16H,1-3H3,(H2,31,34)(H,33,35).
What are the key properties of 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide has a molecular weight of 491.55 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 175933294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).