N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide

C19H18N2O5 — CID 154934012

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
SMILESCOc1cc2nccc(Oc3ccc(NC=O)cc3OC)c2cc1OC
InChIInChI=1S/C19H18N2O5/c1-23-17-8-12(21-11-22)4-5-16(17)26-15-6-7-20-14-10-19(25-3)18(24-2)9-13(14)15/h4-11H,1-3H3,(H,21,22)
InChIKeyTXKCOLPMMTWUDY-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.62
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide (PubChem CID 154934012) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
PubChem CID154934012
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
SMILESCOc1cc2nccc(Oc3ccc(NC=O)cc3OC)c2cc1OC
InChIInChI=1S/C19H18N2O5/c1-23-17-8-12(21-11-22)4-5-16(17)26-15-6-7-20-14-10-19(25-3)18(24-2)9-13(14)15/h4-11H,1-3H3,(H,21,22)
InChIKeyTXKCOLPMMTWUDY-UHFFFAOYSA-N
XLogP3.62
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.62
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

N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 156569958
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
CID 145278906
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
CID 146574108
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide (CID 154934012) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide is COc1cc2nccc(Oc3ccc(NC=O)cc3OC)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide?
The InChIKey is TXKCOLPMMTWUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-23-17-8-12(21-11-22)4-5-16(17)26-15-6-7-20-14-10-19(25-3)18(24-2)9-13(14)15/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide has a molecular weight of 354.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide is sourced from PubChem (CID 154934012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).