10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol

C13H19N3O — CID 115008369

IUPAC10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol
SMILESCN1c2cc(O)ccc2C(N)C2CNCCC21
InChIInChI=1S/C13H19N3O/c1-16-11-4-5-15-7-10(11)13(14)9-3-2-8(17)6-12(9)16/h2-3,6,10-11,13,15,17H,4-5,7,14H2,1H3
InChIKeyUJUURQTZNOKFEY-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.82
Rot. Bonds

About 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol

10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol (PubChem CID 115008369) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol.

Molecular Properties

Compound Name10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol
PubChem CID115008369
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol
SMILESCN1c2cc(O)ccc2C(N)C2CNCCC21
InChIInChI=1S/C13H19N3O/c1-16-11-4-5-15-7-10(11)13(14)9-3-2-8(17)6-12(9)16/h2-3,6,10-11,13,15,17H,4-5,7,14H2,1H3
InChIKeyUJUURQTZNOKFEY-UHFFFAOYSA-N
XLogP0.82
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol?
The IUPAC name of 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol (CID 115008369) is 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol.
What is the SMILES notation for 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol?
The canonical SMILES for 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol is CN1c2cc(O)ccc2C(N)C2CNCCC21.
What is the InChIKey of 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol?
The InChIKey is UJUURQTZNOKFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-11-4-5-15-7-10(11)13(14)9-3-2-8(17)6-12(9)16/h2-3,6,10-11,13,15,17H,4-5,7,14H2,1H3.
What are the key properties of 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol?
10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol has a molecular weight of 233.31 g/mol, XLogP of 0.82, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol is sourced from PubChem (CID 115008369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).