5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide

C29H23N3O4 — CID 142776460

IUPAC5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(C5(C#N)C=CC=C(C(N)=O)C5)ccc4c3)c2cc1OC
InChIInChI=1S/C29H23N3O4/c1-34-26-14-23-24(15-27(26)35-2)32-11-9-25(23)36-22-8-6-18-12-21(7-5-19(18)13-22)29(17-30)10-3-4-20(16-29)28(31)33/h3-15H,16H2,1-2H3,(H2,31,33)
InChIKeyKFOJDGOMGNBHER-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.33
Rot. Bonds6

About 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide

5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 142776460) has the molecular formula C29H23N3O4 and a molecular weight of 477.52 g/mol. Its IUPAC name is 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID142776460
Molecular FormulaC29H23N3O4
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC Name5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(C5(C#N)C=CC=C(C(N)=O)C5)ccc4c3)c2cc1OC
InChIInChI=1S/C29H23N3O4/c1-34-26-14-23-24(15-27(26)35-2)32-11-9-25(23)36-22-8-6-18-12-21(7-5-19(18)13-22)29(17-30)10-3-4-20(16-29)28(31)33/h3-15H,16H2,1-2H3,(H2,31,33)
InChIKeyKFOJDGOMGNBHER-UHFFFAOYSA-N
XLogP5.33
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-[3-chloro-4-[1-[(1-cyanocyclopropyl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 138569506
7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide
CID 142776497
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142776505
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824319
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074

Frequently Asked Questions

What is the IUPAC name of 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide (CID 142776460) is 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide is COc1cc2nccc(Oc3ccc4cc(C5(C#N)C=CC=C(C(N)=O)C5)ccc4c3)c2cc1OC.
What is the InChIKey of 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is KFOJDGOMGNBHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4/c1-34-26-14-23-24(15-27(26)35-2)32-11-9-25(23)36-22-8-6-18-12-21(7-5-19(18)13-22)29(17-30)10-3-4-20(16-29)28(31)33/h3-15H,16H2,1-2H3,(H2,31,33).
What are the key properties of 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide?
5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-5-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142776460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).