10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol

C13H18N2O2 — CID 115008373

IUPAC10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol
SMILESCN1c2cc(O)ccc2C(N)C2COCCC21
InChIInChI=1S/C13H18N2O2/c1-15-11-4-5-17-7-10(11)13(14)9-3-2-8(16)6-12(9)15/h2-3,6,10-11,13,16H,4-5,7,14H2,1H3
InChIKeyLMNSYYDVWDOJTC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.25
Rot. Bonds

About 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol

10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol (PubChem CID 115008373) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol.

Molecular Properties

Compound Name10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol
PubChem CID115008373
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol
SMILESCN1c2cc(O)ccc2C(N)C2COCCC21
InChIInChI=1S/C13H18N2O2/c1-15-11-4-5-17-7-10(11)13(14)9-3-2-8(16)6-12(9)15/h2-3,6,10-11,13,16H,4-5,7,14H2,1H3
InChIKeyLMNSYYDVWDOJTC-UHFFFAOYSA-N
XLogP1.25
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol?
The IUPAC name of 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol (CID 115008373) is 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol.
What is the SMILES notation for 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol?
The canonical SMILES for 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol is CN1c2cc(O)ccc2C(N)C2COCCC21.
What is the InChIKey of 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol?
The InChIKey is LMNSYYDVWDOJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-11-4-5-17-7-10(11)13(14)9-3-2-8(16)6-12(9)15/h2-3,6,10-11,13,16H,4-5,7,14H2,1H3.
What are the key properties of 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol?
10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol has a molecular weight of 234.30 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol is sourced from PubChem (CID 115008373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).