4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide

C17H13ClN2O3 — CID 141404312

IUPAC4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cccc(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C17H13ClN2O3/c1-22-16-9-14-12(8-13(16)17(19)21)15(5-6-20-14)23-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21)
InChIKeyQYUORROXFLOSGD-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.79
Rot. Bonds4

About 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide

4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide (PubChem CID 141404312) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
PubChem CID141404312
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cccc(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C17H13ClN2O3/c1-22-16-9-14-12(8-13(16)17(19)21)15(5-6-20-14)23-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21)
InChIKeyQYUORROXFLOSGD-UHFFFAOYSA-N
XLogP3.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide (CID 141404312) is 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3cccc(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
The InChIKey is QYUORROXFLOSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-16-9-14-12(8-13(16)17(19)21)15(5-6-20-14)23-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21).
What are the key properties of 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide?
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 141404312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).