2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

C17H21N3O3S — CID 10154721

IUPAC2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESCS(=O)CC[C@@H](N)C(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C17H21N3O3S/c1-24(23)9-7-14(18)17(22)20-8-6-15-13(10-20)11-4-2-3-5-12(11)16(21)19-15/h2-5,14H,6-10,18H2,1H3,(H,19,21)/t14-,24?/m1/s1
InChIKeyZMWOOORLSIXBPF-GMBBYQRISA-N
MW347.44 g/mol
LogP0.51
Rot. Bonds4

About 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (PubChem CID 10154721) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.

Molecular Properties

Compound Name2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
PubChem CID10154721
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESCS(=O)CC[C@@H](N)C(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C17H21N3O3S/c1-24(23)9-7-14(18)17(22)20-8-6-15-13(10-20)11-4-2-3-5-12(11)16(21)19-15/h2-5,14H,6-10,18H2,1H3,(H,19,21)/t14-,24?/m1/s1
InChIKeyZMWOOORLSIXBPF-GMBBYQRISA-N
XLogP0.51
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one with MolForge

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Related Compounds

2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 58912958
2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 142212687
2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 142873431
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
(2S)-2-amino-1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-(1H-imidazol-5-yl)propan-1-one
CID 70755477
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 79346688
(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
CID 56869264
4-(2-hydroxypropylamino)butanal;2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 142873448
1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexan-1-one
CID 36804449
[4-(1-hydroxyethyl)phenyl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 172895192

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The IUPAC name of 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (CID 10154721) is 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.
What is the SMILES notation for 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The canonical SMILES for 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is CS(=O)CC[C@@H](N)C(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1.
What is the InChIKey of 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The InChIKey is ZMWOOORLSIXBPF-GMBBYQRISA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(23)9-7-14(18)17(22)20-8-6-15-13(10-20)11-4-2-3-5-12(11)16(21)19-15/h2-5,14H,6-10,18H2,1H3,(H,19,21)/t14-,24?/m1/s1.
What are the key properties of 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one has a molecular weight of 347.44 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-4-methylsulfinylbutanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is sourced from PubChem (CID 10154721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).