N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

C22H18N2O4 — CID 87829722

IUPACN-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(ONC(=O)c3cccc4ccccc34)c2cc1OC
InChIInChI=1S/C22H18N2O4/c1-26-20-12-17-18(13-21(20)27-2)23-11-10-19(17)28-24-22(25)16-9-5-7-14-6-3-4-8-15(14)16/h3-13H,1-2H3,(H,24,25)
InChIKeyHOMFUXMICKGMBU-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.13
Rot. Bonds5

About N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 87829722) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID87829722
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(ONC(=O)c3cccc4ccccc34)c2cc1OC
InChIInChI=1S/C22H18N2O4/c1-26-20-12-17-18(13-21(20)27-2)23-11-10-19(17)28-24-22(25)16-9-5-7-14-6-3-4-8-15(14)16/h3-13H,1-2H3,(H,24,25)
InChIKeyHOMFUXMICKGMBU-UHFFFAOYSA-N
XLogP4.13
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
methane;4,6,7-trimethoxyquinoline
CID 157066291
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 59813772
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 59813247
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (CID 87829722) is N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2nccc(ONC(=O)c3cccc4ccccc34)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is HOMFUXMICKGMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-20-12-17-18(13-21(20)27-2)23-11-10-19(17)28-24-22(25)16-9-5-7-14-6-3-4-8-15(14)16/h3-13H,1-2H3,(H,24,25).
What are the key properties of N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 87829722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).