7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

C26H23N3O5 — CID 169101831

IUPAC7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)N5CCOCC5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C26H23N3O5/c1-32-24-15-22-20(14-21(24)25(27)30)23(7-8-28-22)34-17-5-6-18-16(13-17)3-2-4-19(18)26(31)29-9-11-33-12-10-29/h2-8,13-15H,9-12H2,1H3,(H2,27,30)
InChIKeyGXBURCDDPVZBLR-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.76
Rot. Bonds5

About 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (PubChem CID 169101831) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
PubChem CID169101831
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)N5CCOCC5)cccc4c3)c2cc1C(N)=O
InChIInChI=1S/C26H23N3O5/c1-32-24-15-22-20(14-21(24)25(27)30)23(7-8-28-22)34-17-5-6-18-16(13-17)3-2-4-19(18)26(31)29-9-11-33-12-10-29/h2-8,13-15H,9-12H2,1H3,(H2,27,30)
InChIKeyGXBURCDDPVZBLR-UHFFFAOYSA-N
XLogP3.76
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (CID 169101831) is 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)N5CCOCC5)cccc4c3)c2cc1C(N)=O.
What is the InChIKey of 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The InChIKey is GXBURCDDPVZBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-32-24-15-22-20(14-21(24)25(27)30)23(7-8-28-22)34-17-5-6-18-16(13-17)3-2-4-19(18)26(31)29-9-11-33-12-10-29/h2-8,13-15H,9-12H2,1H3,(H2,27,30).
What are the key properties of 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is sourced from PubChem (CID 169101831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).