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

C14H18N2O2 — CID 115007875

IUPAC2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCN1CCC2Nc3ccccc3C(C(=O)O)C2C1
InChIInChI=1S/C14H18N2O2/c1-16-7-6-12-10(8-16)13(14(17)18)9-4-2-3-5-11(9)15-12/h2-5,10,12-13,15H,6-8H2,1H3,(H,17,18)
InChIKeyUVTPSBIEIRKCBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.60
Rot. Bonds1

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

2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 115007875) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID115007875
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCN1CCC2Nc3ccccc3C(C(=O)O)C2C1
InChIInChI=1S/C14H18N2O2/c1-16-7-6-12-10(8-16)13(14(17)18)9-4-2-3-5-11(9)15-12/h2-5,10,12-13,15H,6-8H2,1H3,(H,17,18)
InChIKeyUVTPSBIEIRKCBV-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid 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
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CID 84694667
3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid
CID 115008277
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CID 162695102
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(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 115007875) is 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is CN1CCC2Nc3ccccc3C(C(=O)O)C2C1.
What is the InChIKey of 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is UVTPSBIEIRKCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-7-6-12-10(8-16)13(14(17)18)9-4-2-3-5-11(9)15-12/h2-5,10,12-13,15H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 115007875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).