8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

C15H20N2O3 — CID 115007928

IUPAC8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)C1CNCCC1N2C
InChIInChI=1S/C15H20N2O3/c1-17-12-4-3-9(20-2)7-10(12)14(15(18)19)11-8-16-6-5-13(11)17/h3-4,7,11,13-14,16H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyUGJGLQGGZAKFQL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds2

About 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 115007928) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID115007928
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)C1CNCCC1N2C
InChIInChI=1S/C15H20N2O3/c1-17-12-4-3-9(20-2)7-10(12)14(15(18)19)11-8-16-6-5-13(11)17/h3-4,7,11,13-14,16H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyUGJGLQGGZAKFQL-UHFFFAOYSA-N
XLogP1.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-10-methyl-2,3,4,4a,9,9a-hexahydro-1H-acridine-9-carboxylic acid
CID 115008178
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008442
6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
CID 115008080
1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid
CID 22397482
8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine
CID 115008450
2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260146
5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
CID 113305090
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007906
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 115008152
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 115007928) is 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is COc1ccc2c(c1)C(C(=O)O)C1CNCCC1N2C.
What is the InChIKey of 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is UGJGLQGGZAKFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17-12-4-3-9(20-2)7-10(12)14(15(18)19)11-8-16-6-5-13(11)17/h3-4,7,11,13-14,16H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 115007928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).