8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one

C24H24N6O2 — CID 58094280

IUPAC8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3ccc(CCN4CCOCC4)cc3)c12
InChIInChI=1S/C24H24N6O2/c31-24-22-18(5-7-27-24)13-21(19-14-25-16-26-15-19)29-23(22)28-20-3-1-17(2-4-20)6-8-30-9-11-32-12-10-30/h1-5,7,13-16H,6,8-12H2,(H,27,31)(H,28,29)
InChIKeyNTUXZSHISCRISE-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.00
Rot. Bonds6

About 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one

8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (PubChem CID 58094280) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
PubChem CID58094280
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3ccc(CCN4CCOCC4)cc3)c12
InChIInChI=1S/C24H24N6O2/c31-24-22-18(5-7-27-24)13-21(19-14-25-16-26-15-19)29-23(22)28-20-3-1-17(2-4-20)6-8-30-9-11-32-12-10-30/h1-5,7,13-16H,6,8-12H2,(H,27,31)(H,28,29)
InChIKeyNTUXZSHISCRISE-UHFFFAOYSA-N
XLogP3.00
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (CID 58094280) is 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3ccc(CCN4CCOCC4)cc3)c12.
What is the InChIKey of 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The InChIKey is NTUXZSHISCRISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-24-22-18(5-7-27-24)13-21(19-14-25-16-26-15-19)29-23(22)28-20-3-1-17(2-4-20)6-8-30-9-11-32-12-10-30/h1-5,7,13-16H,6,8-12H2,(H,27,31)(H,28,29).
What are the key properties of 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one has a molecular weight of 428.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).