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

C25H21N3O4 — CID 11750694

IUPAC4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
InChIKeyIAYJLHOAEWIYAY-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.18
Rot. Bonds6

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

4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide (PubChem CID 11750694) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
PubChem CID11750694
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
InChIKeyIAYJLHOAEWIYAY-UHFFFAOYSA-N
XLogP4.18
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
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CID 49779393
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
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7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11329617
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
N-Cyclopropyl-6-[(7-methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 11383525
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11466492

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide (CID 11750694) is 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(N)=O.
What is the InChIKey of 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
The InChIKey is IAYJLHOAEWIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30).
What are the key properties of 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide?
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 11750694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).