6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine

C27H32N6O2 — CID 143841410

IUPAC6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
SMILESCN.Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1C
InChIInChI=1S/C26H27N5O2.CH5N/c1-17-4-3-5-22(18(17)2)29-23-16-19-10-11-27-26(32)24(19)25(30-23)28-20-6-8-21(9-7-20)31-12-14-33-15-13-31;1-2/h3-11,16H,12-15H2,1-2H3,(H,27,32)(H2,28,29,30);2H2,1H3
InChIKeySILGBTSKSMRONO-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.44
Rot. Bonds5

About 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine

6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine (PubChem CID 143841410) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine.

Molecular Properties

Compound Name6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
PubChem CID143841410
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
SMILESCN.Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1C
InChIInChI=1S/C26H27N5O2.CH5N/c1-17-4-3-5-22(18(17)2)29-23-16-19-10-11-27-26(32)24(19)25(30-23)28-20-6-8-21(9-7-20)31-12-14-33-15-13-31;1-2/h3-11,16H,12-15H2,1-2H3,(H,27,32)(H2,28,29,30);2H2,1H3
InChIKeySILGBTSKSMRONO-UHFFFAOYSA-N
XLogP4.44
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine?
The IUPAC name of 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine (CID 143841410) is 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine.
What is the SMILES notation for 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine?
The canonical SMILES for 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine is CN.Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1C.
What is the InChIKey of 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine?
The InChIKey is SILGBTSKSMRONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.CH5N/c1-17-4-3-5-22(18(17)2)29-23-16-19-10-11-27-26(32)24(19)25(30-23)28-20-6-8-21(9-7-20)31-12-14-33-15-13-31;1-2/h3-11,16H,12-15H2,1-2H3,(H,27,32)(H2,28,29,30);2H2,1H3.
What are the key properties of 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine?
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine has a molecular weight of 472.59 g/mol, XLogP of 4.44, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine is sourced from PubChem (CID 143841410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).