N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide

C18H17N3O4 — CID 146574108

IUPACN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
SMILESCOc1cc2nccc(Oc3ccc(CNC=O)nc3)c2cc1OC
InChIInChI=1S/C18H17N3O4/c1-23-17-7-14-15(8-18(17)24-2)20-6-5-16(14)25-13-4-3-12(21-10-13)9-19-11-22/h3-8,10-11H,9H2,1-2H3,(H,19,22)
InChIKeyLQVZUNYCPGJOLF-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.69
Rot. Bonds7

About N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide

N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide (PubChem CID 146574108) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
PubChem CID146574108
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
SMILESCOc1cc2nccc(Oc3ccc(CNC=O)nc3)c2cc1OC
InChIInChI=1S/C18H17N3O4/c1-23-17-7-14-15(8-18(17)24-2)20-6-5-16(14)25-13-4-3-12(21-10-13)9-19-11-22/h3-8,10-11H,9H2,1-2H3,(H,19,22)
InChIKeyLQVZUNYCPGJOLF-UHFFFAOYSA-N
XLogP2.69
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
methane;4,6,7-trimethoxyquinoline
CID 157066291
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 166561930
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 22132639
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide?
The IUPAC name of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide (CID 146574108) is N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide is COc1cc2nccc(Oc3ccc(CNC=O)nc3)c2cc1OC.
What is the InChIKey of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide?
The InChIKey is LQVZUNYCPGJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-17-7-14-15(8-18(17)24-2)20-6-5-16(14)25-13-4-3-12(21-10-13)9-19-11-22/h3-8,10-11H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide?
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide has a molecular weight of 339.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide is sourced from PubChem (CID 146574108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).