6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C18H17ClN4O2 — CID 86649544

IUPAC6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C18H17ClN4O2/c19-15-11-12-5-6-20-18(24)16(12)17(22-15)21-13-1-3-14(4-2-13)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,20,24)(H,21,22)
InChIKeyGYYJVRWETGYISF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.16
Rot. Bonds3

About 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 86649544) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID86649544
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C18H17ClN4O2/c19-15-11-12-5-6-20-18(24)16(12)17(22-15)21-13-1-3-14(4-2-13)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,20,24)(H,21,22)
InChIKeyGYYJVRWETGYISF-UHFFFAOYSA-N
XLogP3.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870849
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
6-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887642
6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58166613
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093812
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 66888308

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 86649544) is 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is GYYJVRWETGYISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-15-11-12-5-6-20-18(24)16(12)17(22-15)21-13-1-3-14(4-2-13)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,20,24)(H,21,22).
What are the key properties of 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 356.81 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 86649544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).