2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide

C27H28N4O2 — CID 5189611

IUPAC2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCCN(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C27H28N4O2/c1-31(20-11-4-3-5-12-20)18-10-17-28-27(32)22-19-26(29-23-14-7-6-13-21(22)23)30-24-15-8-9-16-25(24)33-2/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyRMCWUXILCNHMDL-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.24
Rot. Bonds9

About 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide

2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide (PubChem CID 5189611) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide
PubChem CID5189611
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCCN(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C27H28N4O2/c1-31(20-11-4-3-5-12-20)18-10-17-28-27(32)22-19-26(29-23-14-7-6-13-21(22)23)30-24-15-8-9-16-25(24)33-2/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyRMCWUXILCNHMDL-UHFFFAOYSA-N
XLogP5.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide (CID 5189611) is 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NCCCN(C)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide?
The InChIKey is RMCWUXILCNHMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-31(20-11-4-3-5-12-20)18-10-17-28-27(32)22-19-26(29-23-14-7-6-13-21(22)23)30-24-15-8-9-16-25(24)33-2/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide?
2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[3-(N-methylanilino)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 5189611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).