3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid

C21H18ClN3O5 — CID 150323577

IUPAC3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2ncc(Cl)c(Oc3ccccc3NC(=O)NC3CC3)c2cc1C(=O)O
InChIInChI=1S/C21H18ClN3O5/c1-29-18-9-16-12(8-13(18)20(26)27)19(14(22)10-23-16)30-17-5-3-2-4-15(17)25-21(28)24-11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyGODOEWDWLDKHBI-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.67
Rot. Bonds6

About 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid

3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid (PubChem CID 150323577) has the molecular formula C21H18ClN3O5 and a molecular weight of 427.84 g/mol. Its IUPAC name is 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
PubChem CID150323577
Molecular FormulaC21H18ClN3O5
Molecular Weight427.84 g/mol
Exact Mass427.09
IUPAC Name3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2ncc(Cl)c(Oc3ccccc3NC(=O)NC3CC3)c2cc1C(=O)O
InChIInChI=1S/C21H18ClN3O5/c1-29-18-9-16-12(8-13(18)20(26)27)19(14(22)10-23-16)30-17-5-3-2-4-15(17)25-21(28)24-11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyGODOEWDWLDKHBI-UHFFFAOYSA-N
XLogP4.67
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid with MolForge

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Related Compounds

3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid
CID 152622358
2-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
CID 150757716
5-chloro-4-(cyclobutylcarbamoylamino)-2-methoxybenzoic acid
CID 62416581
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 58931191
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 10049743
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-pyridin-4-ylquinoline-6-carboxamide
CID 22936873
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 11540329
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-(3-hydroxypropyl)-7-methoxyquinoline-6-carboxamide
CID 22936850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid?
The IUPAC name of 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid (CID 150323577) is 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid.
What is the SMILES notation for 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid?
The canonical SMILES for 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid is COc1cc2ncc(Cl)c(Oc3ccccc3NC(=O)NC3CC3)c2cc1C(=O)O.
What is the InChIKey of 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid?
The InChIKey is GODOEWDWLDKHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O5/c1-29-18-9-16-12(8-13(18)20(26)27)19(14(22)10-23-16)30-17-5-3-2-4-15(17)25-21(28)24-11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid?
3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid has a molecular weight of 427.84 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid is sourced from PubChem (CID 150323577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).