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

C24H21ClN4O2 — CID 58094043

IUPAC6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3ccccc3Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H21ClN4O2/c25-20-4-2-1-3-19(20)21-15-16-9-10-26-24(30)22(16)23(28-21)27-17-5-7-18(8-6-17)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,26,30)(H,27,28)
InChIKeyBMPOWIIBXCMAFL-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.82
Rot. Bonds4

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

6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58094043) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58094043
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3ccccc3Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H21ClN4O2/c25-20-4-2-1-3-19(20)21-15-16-9-10-26-24(30)22(16)23(28-21)27-17-5-7-18(8-6-17)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,26,30)(H,27,28)
InChIKeyBMPOWIIBXCMAFL-UHFFFAOYSA-N
XLogP4.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.82
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 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58094043) is 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(-c3ccccc3Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is BMPOWIIBXCMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-20-4-2-1-3-19(20)21-15-16-9-10-26-24(30)22(16)23(28-21)27-17-5-7-18(8-6-17)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,26,30)(H,27,28).
What are the key properties of 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 432.91 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).