4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide

C18H16ClN3O2 — CID 22170322

IUPAC4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3C)c2c1
InChIInChI=1S/C18H16ClN3O2/c1-10-7-11(19)3-5-15(10)22-17-13-8-12(24-2)4-6-16(13)21-9-14(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyBBCCNXPVBPOPCW-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.05
Rot. Bonds4

About 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide

4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide (PubChem CID 22170322) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
PubChem CID22170322
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3C)c2c1
InChIInChI=1S/C18H16ClN3O2/c1-10-7-11(19)3-5-15(10)22-17-13-8-12(24-2)4-6-16(13)21-9-14(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyBBCCNXPVBPOPCW-UHFFFAOYSA-N
XLogP4.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide (CID 22170322) is 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide is COc1ccc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3C)c2c1.
What is the InChIKey of 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The InChIKey is BBCCNXPVBPOPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10-7-11(19)3-5-15(10)22-17-13-8-12(24-2)4-6-16(13)21-9-14(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).