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

C27H29N5O4S — CID 66887970

IUPAC8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C27H29N5O4S/c1-18(2)37(34,35)23-6-4-3-5-22(23)30-24-17-19-11-12-28-27(33)25(19)26(31-24)29-20-7-9-21(10-8-20)32-13-15-36-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,28,33)(H2,29,30,31)
InChIKeyWTFDSLYWBMPNAK-UHFFFAOYSA-N
MW519.63 g/mol
LogP4.43
Rot. Bonds7

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

8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 66887970) has the molecular formula C27H29N5O4S and a molecular weight of 519.63 g/mol. Its IUPAC name is 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID66887970
Molecular FormulaC27H29N5O4S
Molecular Weight519.63 g/mol
Exact Mass519.19
IUPAC Name8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C27H29N5O4S/c1-18(2)37(34,35)23-6-4-3-5-22(23)30-24-17-19-11-12-28-27(33)25(19)26(31-24)29-20-7-9-21(10-8-20)32-13-15-36-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,28,33)(H2,29,30,31)
InChIKeyWTFDSLYWBMPNAK-UHFFFAOYSA-N
XLogP4.43
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 66888308
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
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
2-N-(4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 134256328
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889

Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one (CID 66887970) is 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one is CC(C)S(=O)(=O)c1ccccc1Nc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is WTFDSLYWBMPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4S/c1-18(2)37(34,35)23-6-4-3-5-22(23)30-24-17-19-11-12-28-27(33)25(19)26(31-24)29-20-7-9-21(10-8-20)32-13-15-36-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,28,33)(H2,29,30,31).
What are the key properties of 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one?
8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 519.63 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66887970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).