N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide

C27H21N3O4 — CID 59813488

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cccnc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21N3O4/c1-32-25-14-21-23(15-26(25)33-2)29-12-10-24(21)34-19-8-9-20-17(13-19)5-3-7-22(20)30-27(31)18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)
InChIKeyRYYWHHMKKMLUMJ-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.84
Rot. Bonds6

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide (PubChem CID 59813488) has the molecular formula C27H21N3O4 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
PubChem CID59813488
Molecular FormulaC27H21N3O4
Molecular Weight451.48 g/mol
Exact Mass451.15
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cccnc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21N3O4/c1-32-25-14-21-23(15-26(25)33-2)29-12-10-24(21)34-19-8-9-20-17(13-19)5-3-7-22(20)30-27(31)18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)
InChIKeyRYYWHHMKKMLUMJ-UHFFFAOYSA-N
XLogP5.84
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide (CID 59813488) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccnc5)cccc4c3)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide?
The InChIKey is RYYWHHMKKMLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4/c1-32-25-14-21-23(15-26(25)33-2)29-12-10-24(21)34-19-8-9-20-17(13-19)5-3-7-22(20)30-27(31)18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59813488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).