3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid

C19H16ClN3O5 — CID 152622358

IUPAC3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid
SMILESCNC(=O)Nc1ccccc1Oc1c(Cl)cnc2cc(OC)c(C(=O)O)cc12
InChIInChI=1S/C19H16ClN3O5/c1-21-19(26)23-13-5-3-4-6-15(13)28-17-10-7-11(18(24)25)16(27-2)8-14(10)22-9-12(17)20/h3-9H,1-2H3,(H,24,25)(H2,21,23,26)
InChIKeyZBUDEAQCWIOGBW-UHFFFAOYSA-N
MW401.81 g/mol
LogP4.14
Rot. Bonds5

About 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid

3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid (PubChem CID 152622358) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid
PubChem CID152622358
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC Name3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid
SMILESCNC(=O)Nc1ccccc1Oc1c(Cl)cnc2cc(OC)c(C(=O)O)cc12
InChIInChI=1S/C19H16ClN3O5/c1-21-19(26)23-13-5-3-4-6-15(13)28-17-10-7-11(18(24)25)16(27-2)8-14(10)22-9-12(17)20/h3-9H,1-2H3,(H,24,25)(H2,21,23,26)
InChIKeyZBUDEAQCWIOGBW-UHFFFAOYSA-N
XLogP4.14
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
CID 150323577
2-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
CID 150757716
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
CID 67202836
4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 123279032
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3,4,5-trichloropyridine-2-carboxylate
CID 16509014
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
5-[3-[(2-chlorophenyl)carbamoylamino]-4-(2,3-dimethylphenoxy)phenyl]-2-methoxybenzoic acid
CID 121332658
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid?
The IUPAC name of 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid (CID 152622358) is 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid.
What is the SMILES notation for 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid?
The canonical SMILES for 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid is CNC(=O)Nc1ccccc1Oc1c(Cl)cnc2cc(OC)c(C(=O)O)cc12.
What is the InChIKey of 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid?
The InChIKey is ZBUDEAQCWIOGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c1-21-19(26)23-13-5-3-4-6-15(13)28-17-10-7-11(18(24)25)16(27-2)8-14(10)22-9-12(17)20/h3-9H,1-2H3,(H,24,25)(H2,21,23,26).
What are the key properties of 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid?
3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid has a molecular weight of 401.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid is sourced from PubChem (CID 152622358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).