1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide

C23H28N4O3 — CID 25254949

IUPAC1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(N)=O)cc2C(Nc2ccc(N3CCOCC3)cc2)CC1C
InChIInChI=1S/C23H28N4O3/c1-15-13-21(20-14-17(23(24)29)3-8-22(20)27(15)16(2)28)25-18-4-6-19(7-5-18)26-9-11-30-12-10-26/h3-8,14-15,21,25H,9-13H2,1-2H3,(H2,24,29)
InChIKeyIBSWNJLCHUAFAN-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.92
Rot. Bonds4

About 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 25254949) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID25254949
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(N)=O)cc2C(Nc2ccc(N3CCOCC3)cc2)CC1C
InChIInChI=1S/C23H28N4O3/c1-15-13-21(20-14-17(23(24)29)3-8-22(20)27(15)16(2)28)25-18-4-6-19(7-5-18)26-9-11-30-12-10-26/h3-8,14-15,21,25H,9-13H2,1-2H3,(H2,24,29)
InChIKeyIBSWNJLCHUAFAN-UHFFFAOYSA-N
XLogP2.92
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 25254949) is 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1c2ccc(C(N)=O)cc2C(Nc2ccc(N3CCOCC3)cc2)CC1C.
What is the InChIKey of 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is IBSWNJLCHUAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-13-21(20-14-17(23(24)29)3-8-22(20)27(15)16(2)28)25-18-4-6-19(7-5-18)26-9-11-30-12-10-26/h3-8,14-15,21,25H,9-13H2,1-2H3,(H2,24,29).
What are the key properties of 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 25254949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).