4-(3-methoxyanilino)quinoline-3-carboxamide

C17H15N3O2 — CID 45485428

IUPAC4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccccc23)c1
InChIInChI=1S/C17H15N3O2/c1-22-12-6-4-5-11(9-12)20-16-13-7-2-3-8-15(13)19-10-14(16)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyXCDXNBRLAKWTDV-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.09
Rot. Bonds4

About 4-(3-methoxyanilino)quinoline-3-carboxamide

4-(3-methoxyanilino)quinoline-3-carboxamide (PubChem CID 45485428) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(3-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)quinoline-3-carboxamide
PubChem CID45485428
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccccc23)c1
InChIInChI=1S/C17H15N3O2/c1-22-12-6-4-5-11(9-12)20-16-13-7-2-3-8-15(13)19-10-14(16)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyXCDXNBRLAKWTDV-UHFFFAOYSA-N
XLogP3.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)quinoline-3-carboxamide (CID 45485428) is 4-(3-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccccc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is XCDXNBRLAKWTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-12-6-4-5-11(9-12)20-16-13-7-2-3-8-15(13)19-10-14(16)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20).
What are the key properties of 4-(3-methoxyanilino)quinoline-3-carboxamide?
4-(3-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 45485428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).