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

C14H21N3O — CID 115008380

IUPAC7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCOc1ccc2c(c1)NC1CCN(C)CC1C2N
InChIInChI=1S/C14H21N3O/c1-17-6-5-12-11(8-17)14(15)10-4-3-9(18-2)7-13(10)16-12/h3-4,7,11-12,14,16H,5-6,8,15H2,1-2H3
InChIKeyMZWSTPWXNOTSGI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.44
Rot. Bonds1

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

7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine (PubChem CID 115008380) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine.

Molecular Properties

Compound Name7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
PubChem CID115008380
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCOc1ccc2c(c1)NC1CCN(C)CC1C2N
InChIInChI=1S/C14H21N3O/c1-17-6-5-12-11(8-17)14(15)10-4-3-9(18-2)7-13(10)16-12/h3-4,7,11-12,14,16H,5-6,8,15H2,1-2H3
InChIKeyMZWSTPWXNOTSGI-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine with MolForge

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Related Compounds

7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007906
7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
CID 115008376
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84627031
6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 115008152
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
(5aS,10bR)-9-(3-methoxyphenyl)sulfonyl-3-methyl-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole;(5aS,10bR)-9-(4-methoxyphenyl)sulfonyl-3-methyl-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole
CID 158260992
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine
CID 115008450
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008442
2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007875
3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
CID 178102600

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The IUPAC name of 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine (CID 115008380) is 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine.
What is the SMILES notation for 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The canonical SMILES for 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine is COc1ccc2c(c1)NC1CCN(C)CC1C2N.
What is the InChIKey of 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The InChIKey is MZWSTPWXNOTSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-6-5-12-11(8-17)14(15)10-4-3-9(18-2)7-13(10)16-12/h3-4,7,11-12,14,16H,5-6,8,15H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine has a molecular weight of 247.34 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine is sourced from PubChem (CID 115008380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).