4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

C18H15ClN4O4 — CID 22936448

IUPAC4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(N)=O)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C18H15ClN4O4/c1-26-16-8-14-10(7-11(16)17(20)24)15(4-5-22-14)27-9-2-3-13(12(19)6-9)23-18(21)25/h2-8H,1H3,(H2,20,24)(H3,21,23,25)
InChIKeyLBVQYBKTDGVCTR-UHFFFAOYSA-N
MW386.80 g/mol
LogP3.28
Rot. Bonds5

About 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 22936448) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID22936448
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC Name4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(N)=O)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C18H15ClN4O4/c1-26-16-8-14-10(7-11(16)17(20)24)15(4-5-22-14)27-9-2-3-13(12(19)6-9)23-18(21)25/h2-8H,1H3,(H2,20,24)(H3,21,23,25)
InChIKeyLBVQYBKTDGVCTR-UHFFFAOYSA-N
XLogP3.28
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (CID 22936448) is 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(NC(N)=O)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is LBVQYBKTDGVCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c1-26-16-8-14-10(7-11(16)17(20)24)15(4-5-22-14)27-9-2-3-13(12(19)6-9)23-18(21)25/h2-8H,1H3,(H2,20,24)(H3,21,23,25).
What are the key properties of 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 386.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 22936448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).