4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide

C20H17ClN4O4 — CID 135566046

IUPAC4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)ccnc2cc1O
InChIInChI=1S/C20H17ClN4O4/c21-14-7-11(3-4-15(14)25-20(28)24-10-1-2-10)29-18-5-6-23-16-9-17(26)13(19(22)27)8-12(16)18/h3-10,26H,1-2H2,(H2,22,27)(H2,24,25,28)
InChIKeyXEZZOIWZFIDBIQ-UHFFFAOYSA-N
MW412.83 g/mol
LogP3.77
Rot. Bonds5

About 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide

4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide (PubChem CID 135566046) has the molecular formula C20H17ClN4O4 and a molecular weight of 412.83 g/mol. Its IUPAC name is 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide
PubChem CID135566046
Molecular FormulaC20H17ClN4O4
Molecular Weight412.83 g/mol
Exact Mass412.09
IUPAC Name4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)ccnc2cc1O
InChIInChI=1S/C20H17ClN4O4/c21-14-7-11(3-4-15(14)25-20(28)24-10-1-2-10)29-18-5-6-23-16-9-17(26)13(19(22)27)8-12(16)18/h3-10,26H,1-2H2,(H2,22,27)(H2,24,25,28)
InChIKeyXEZZOIWZFIDBIQ-UHFFFAOYSA-N
XLogP3.77
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide (CID 135566046) is 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide is NC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)ccnc2cc1O.
What is the InChIKey of 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide?
The InChIKey is XEZZOIWZFIDBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4/c21-14-7-11(3-4-15(14)25-20(28)24-10-1-2-10)29-18-5-6-23-16-9-17(26)13(19(22)27)8-12(16)18/h3-10,26H,1-2H2,(H2,22,27)(H2,24,25,28).
What are the key properties of 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide?
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide has a molecular weight of 412.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide is sourced from PubChem (CID 135566046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).