8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine

C14H21N3O — CID 115008442

IUPAC8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCOc1ccc2c(c1)C(N)C1CNCCC1N2C
InChIInChI=1S/C14H21N3O/c1-17-12-4-3-9(18-2)7-10(12)14(15)11-8-16-6-5-13(11)17/h3-4,7,11,13-14,16H,5-6,8,15H2,1-2H3
InChIKeyVHAMQRXBMFHDJM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.12
Rot. Bonds1

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

8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine (PubChem CID 115008442) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
PubChem CID115008442
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCOc1ccc2c(c1)C(N)C1CNCCC1N2C
InChIInChI=1S/C14H21N3O/c1-17-12-4-3-9(18-2)7-10(12)14(15)11-8-16-6-5-13(11)17/h3-4,7,11,13-14,16H,5-6,8,15H2,1-2H3
InChIKeyVHAMQRXBMFHDJM-UHFFFAOYSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.12
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

8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007928
8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine
CID 115008450
7-methoxy-10-methyl-2,3,4,4a,9,9a-hexahydro-1H-acridine-9-carboxylic acid
CID 115008178
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260146
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
CID 115927092
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008380
6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
CID 115008080

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]naphthyridin-10-amine?
The IUPAC name of 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine (CID 115008442) is 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine.
What is the SMILES notation for 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The canonical SMILES for 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine is COc1ccc2c(c1)C(N)C1CNCCC1N2C.
What is the InChIKey of 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The InChIKey is VHAMQRXBMFHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-12-4-3-9(18-2)7-10(12)14(15)11-8-16-6-5-13(11)17/h3-4,7,11,13-14,16H,5-6,8,15H2,1-2H3.
What are the key properties of 8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine has a molecular weight of 247.34 g/mol, XLogP of 1.12, 1 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]naphthyridin-10-amine is sourced from PubChem (CID 115008442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).