1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one

C23H27N5O — CID 46701507

IUPAC1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
SMILESCN1CCN(c2ccc(Nc3cc4c(ccc(=O)n4C4CCC4)cn3)cc2)CC1
InChIInChI=1S/C23H27N5O/c1-26-11-13-27(14-12-26)19-8-6-18(7-9-19)25-22-15-21-17(16-24-22)5-10-23(29)28(21)20-3-2-4-20/h5-10,15-16,20H,2-4,11-14H2,1H3,(H,24,25)
InChIKeyKSPUWQWJOOAMLC-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one

1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one (PubChem CID 46701507) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
PubChem CID46701507
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
SMILESCN1CCN(c2ccc(Nc3cc4c(ccc(=O)n4C4CCC4)cn3)cc2)CC1
InChIInChI=1S/C23H27N5O/c1-26-11-13-27(14-12-26)19-8-6-18(7-9-19)25-22-15-21-17(16-24-22)5-10-23(29)28(21)20-3-2-4-20/h5-10,15-16,20H,2-4,11-14H2,1H3,(H,24,25)
InChIKeyKSPUWQWJOOAMLC-UHFFFAOYSA-N
XLogP3.62
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124690
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727
1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124675
8-(4-methylcyclohexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374881
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
CID 22124851
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124688
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124798
7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one
CID 68859807
1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
CID 155458659
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
1-(2-bicyclo[2.2.1]heptanyl)-7-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124548

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one (CID 46701507) is 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one is CN1CCN(c2ccc(Nc3cc4c(ccc(=O)n4C4CCC4)cn3)cc2)CC1.
What is the InChIKey of 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?
The InChIKey is KSPUWQWJOOAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-26-11-13-27(14-12-26)19-8-6-18(7-9-19)25-22-15-21-17(16-24-22)5-10-23(29)28(21)20-3-2-4-20/h5-10,15-16,20H,2-4,11-14H2,1H3,(H,24,25).
What are the key properties of 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one has a molecular weight of 389.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 46701507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).