[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid

C18H16N2O5 — CID 22936459

IUPAC[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)O)cc3)c2cc1OC
InChIInChI=1S/C18H16N2O5/c1-23-16-9-13-14(10-17(16)24-2)19-8-7-15(13)25-12-5-3-11(4-6-12)20-18(21)22/h3-10,20H,1-2H3,(H,21,22)
InChIKeyHHJDJGDCVXHLHB-UHFFFAOYSA-N
MW340.34 g/mol
LogP4.13
Rot. Bonds5

About [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid

[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid (PubChem CID 22936459) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
PubChem CID22936459
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)O)cc3)c2cc1OC
InChIInChI=1S/C18H16N2O5/c1-23-16-9-13-14(10-17(16)24-2)19-8-7-15(13)25-12-5-3-11(4-6-12)20-18(21)22/h3-10,20H,1-2H3,(H,21,22)
InChIKeyHHJDJGDCVXHLHB-UHFFFAOYSA-N
XLogP4.13
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid with MolForge

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Related Compounds

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 10050530

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid?
The IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid (CID 22936459) is [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid.
What is the SMILES notation for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid?
The canonical SMILES for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid is COc1cc2nccc(Oc3ccc(NC(=O)O)cc3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid?
The InChIKey is HHJDJGDCVXHLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-16-9-13-14(10-17(16)24-2)19-8-7-15(13)25-12-5-3-11(4-6-12)20-18(21)22/h3-10,20H,1-2H3,(H,21,22).
What are the key properties of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid?
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid has a molecular weight of 340.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid is sourced from PubChem (CID 22936459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).