2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine

C15H20N4O — CID 14986017

IUPAC2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine
SMILESCCNc1nc2ccccc2c(N)c1N1CCOCC1
InChIInChI=1S/C15H20N4O/c1-2-17-15-14(19-7-9-20-10-8-19)13(16)11-5-3-4-6-12(11)18-15/h3-6H,2,7-10H2,1H3,(H3,16,17,18)
InChIKeyKTMFLZDEPRUVPL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds3

About 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine

2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine (PubChem CID 14986017) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine
PubChem CID14986017
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine
SMILESCCNc1nc2ccccc2c(N)c1N1CCOCC1
InChIInChI=1S/C15H20N4O/c1-2-17-15-14(19-7-9-20-10-8-19)13(16)11-5-3-4-6-12(11)18-15/h3-6H,2,7-10H2,1H3,(H3,16,17,18)
InChIKeyKTMFLZDEPRUVPL-UHFFFAOYSA-N
XLogP2.09
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine (CID 14986017) is 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine is CCNc1nc2ccccc2c(N)c1N1CCOCC1.
What is the InChIKey of 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine?
The InChIKey is KTMFLZDEPRUVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-17-15-14(19-7-9-20-10-8-19)13(16)11-5-3-4-6-12(11)18-15/h3-6H,2,7-10H2,1H3,(H3,16,17,18).
What are the key properties of 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine?
2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine is sourced from PubChem (CID 14986017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).