4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline

C21H22N2O4 — CID 91595077

IUPAC4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(Oc3cc(C)c(C)cc3C(C)N=O)c2cc1OC
InChIInChI=1S/C21H22N2O4/c1-12-8-15(14(3)23-24)19(9-13(12)2)27-18-6-7-22-17-11-21(26-5)20(25-4)10-16(17)18/h6-11,14H,1-5H3
InChIKeyOKDZLMXLSMRGDT-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.49
Rot. Bonds6

About 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline

4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline (PubChem CID 91595077) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
PubChem CID91595077
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(Oc3cc(C)c(C)cc3C(C)N=O)c2cc1OC
InChIInChI=1S/C21H22N2O4/c1-12-8-15(14(3)23-24)19(9-13(12)2)27-18-6-7-22-17-11-21(26-5)20(25-4)10-16(17)18/h6-11,14H,1-5H3
InChIKeyOKDZLMXLSMRGDT-UHFFFAOYSA-N
XLogP5.49
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene
CID 91025489
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-methoxy-7-methyl-6-propan-2-yloxyquinoline
CID 144937171
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,6-naphthyridine
CID 23078530
[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-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline?
The IUPAC name of 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline (CID 91595077) is 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline.
What is the SMILES notation for 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline?
The canonical SMILES for 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline is COc1cc2nccc(Oc3cc(C)c(C)cc3C(C)N=O)c2cc1OC.
What is the InChIKey of 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline?
The InChIKey is OKDZLMXLSMRGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-8-15(14(3)23-24)19(9-13(12)2)27-18-6-7-22-17-11-21(26-5)20(25-4)10-16(17)18/h6-11,14H,1-5H3.
What are the key properties of 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline?
4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline has a molecular weight of 366.42 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline is sourced from PubChem (CID 91595077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).