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

C17H23N3O2 — CID 142212687

IUPAC2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESCC(C)[C@@H](N)C(O)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C17H23N3O2/c1-10(2)15(18)17(22)20-8-7-14-13(9-20)11-5-3-4-6-12(11)16(21)19-14/h3-6,10,15,17,22H,7-9,18H2,1-2H3,(H,19,21)/t15-,17?/m1/s1
InChIKeyGAPIFXACBFHUOW-LDCVWXEPSA-N
MW301.39 g/mol
LogP1.19
Rot. Bonds3

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

2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (PubChem CID 142212687) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.

Molecular Properties

Compound Name2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
PubChem CID142212687
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESCC(C)[C@@H](N)C(O)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C17H23N3O2/c1-10(2)15(18)17(22)20-8-7-14-13(9-20)11-5-3-4-6-12(11)16(21)19-14/h3-6,10,15,17,22H,7-9,18H2,1-2H3,(H,19,21)/t15-,17?/m1/s1
InChIKeyGAPIFXACBFHUOW-LDCVWXEPSA-N
XLogP1.19
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 142873431
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CID 10154721
2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 58912958
4-(2-hydroxypropylamino)butanal;2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
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2,3,4,5-tetrahydro-1H-phenanthridin-6-one;hydrochloride
CID 142809398
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CID 172895192
2-propan-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 61355681
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane
CID 91258224
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole
CID 95313365

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The IUPAC name of 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (CID 142212687) is 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.
What is the SMILES notation for 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The canonical SMILES for 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is CC(C)[C@@H](N)C(O)N1CCc2[nH]c(=O)c3ccccc3c2C1.
What is the InChIKey of 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The InChIKey is GAPIFXACBFHUOW-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10(2)15(18)17(22)20-8-7-14-13(9-20)11-5-3-4-6-12(11)16(21)19-14/h3-6,10,15,17,22H,7-9,18H2,1-2H3,(H,19,21)/t15-,17?/m1/s1.
What are the key properties of 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one has a molecular weight of 301.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-1-hydroxy-3-methylbutyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is sourced from PubChem (CID 142212687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).