4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine

C18H23N5O2 — CID 89070023

IUPAC4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine
SMILES[H]/N=C(/c1c(N)cnc2ccc(N3CCOCC3)cc12)N1CCOCC1
InChIInChI=1S/C18H23N5O2/c19-15-12-21-16-2-1-13(22-3-7-24-8-4-22)11-14(16)17(15)18(20)23-5-9-25-10-6-23/h1-2,11-12,20H,3-10,19H2/b20-18-
InChIKeyRBBINIWNUCWRAT-ZZEZOPTASA-N
MW341.42 g/mol
LogP1.31
Rot. Bonds2

About 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine

4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine (PubChem CID 89070023) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine.

Molecular Properties

Compound Name4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine
PubChem CID89070023
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine
SMILES[H]/N=C(/c1c(N)cnc2ccc(N3CCOCC3)cc12)N1CCOCC1
InChIInChI=1S/C18H23N5O2/c19-15-12-21-16-2-1-13(22-3-7-24-8-4-22)11-14(16)17(15)18(20)23-5-9-25-10-6-23/h1-2,11-12,20H,3-10,19H2/b20-18-
InChIKeyRBBINIWNUCWRAT-ZZEZOPTASA-N
XLogP1.31
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine?
The IUPAC name of 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine (CID 89070023) is 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine.
What is the SMILES notation for 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine?
The canonical SMILES for 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine is [H]/N=C(/c1c(N)cnc2ccc(N3CCOCC3)cc12)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine?
The InChIKey is RBBINIWNUCWRAT-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H23N5O2/c19-15-12-21-16-2-1-13(22-3-7-24-8-4-22)11-14(16)17(15)18(20)23-5-9-25-10-6-23/h1-2,11-12,20H,3-10,19H2/b20-18-.
What are the key properties of 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine?
4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine has a molecular weight of 341.42 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carboximidoyl)-6-morpholin-4-ylquinolin-3-amine is sourced from PubChem (CID 89070023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).