10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol

C13H18N2O — CID 115007297

IUPAC10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol
SMILESCN1c2cc(O)ccc2CC2CCNCC21
InChIInChI=1S/C13H18N2O/c1-15-12-7-11(16)3-2-9(12)6-10-4-5-14-8-13(10)15/h2-3,7,10,13-14,16H,4-6,8H2,1H3
InChIKeyGUMJCMYJGYIHRN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.36
Rot. Bonds

About 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol

10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol (PubChem CID 115007297) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol.

Molecular Properties

Compound Name10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol
PubChem CID115007297
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol
SMILESCN1c2cc(O)ccc2CC2CCNCC21
InChIInChI=1S/C13H18N2O/c1-15-12-7-11(16)3-2-9(12)6-10-4-5-14-8-13(10)15/h2-3,7,10,13-14,16H,4-6,8H2,1H3
InChIKeyGUMJCMYJGYIHRN-UHFFFAOYSA-N
XLogP1.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol with MolForge

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Related Compounds

7,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridine
CID 115007316
10-amino-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-7-ol
CID 115008369
3-(2-ethoxyprop-2-enyl)-1,2-dimethyl-3,4-dihydro-2H-quinolin-7-ol
CID 123400968
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
(8-bromo-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 115008005
(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 3058308
6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
CID 129014061
10-amino-5-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]quinolin-7-ol
CID 115008373
5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
CID 130001602
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675581

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol?
The IUPAC name of 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol (CID 115007297) is 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol.
What is the SMILES notation for 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol?
The canonical SMILES for 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol is CN1c2cc(O)ccc2CC2CCNCC21.
What is the InChIKey of 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol?
The InChIKey is GUMJCMYJGYIHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-12-7-11(16)3-2-9(12)6-10-4-5-14-8-13(10)15/h2-3,7,10,13-14,16H,4-6,8H2,1H3.
What are the key properties of 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol?
10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol has a molecular weight of 218.30 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,3,4,4a,5,10a-hexahydro-1H-benzo[b][1,7]naphthyridin-8-ol is sourced from PubChem (CID 115007297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).