6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane

C23H27N3O4 — CID 163382908

IUPAC6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane
SMILESCC.COc1ccc(CNc2nc3ncc(C(=O)O)cc3c3c2CCC3)c(OC)c1
InChIInChI=1S/C21H21N3O4.C2H6/c1-27-14-7-6-12(18(9-14)28-2)10-22-19-16-5-3-4-15(16)17-8-13(21(25)26)11-23-20(17)24-19;1-2/h6-9,11H,3-5,10H2,1-2H3,(H,25,26)(H,22,23,24);1-2H3
InChIKeyVVUFGWSRNKMYBS-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.47
Rot. Bonds6

About 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane

6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane (PubChem CID 163382908) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane
PubChem CID163382908
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane
SMILESCC.COc1ccc(CNc2nc3ncc(C(=O)O)cc3c3c2CCC3)c(OC)c1
InChIInChI=1S/C21H21N3O4.C2H6/c1-27-14-7-6-12(18(9-14)28-2)10-22-19-16-5-3-4-15(16)17-8-13(21(25)26)11-23-20(17)24-19;1-2/h6-9,11H,3-5,10H2,1-2H3,(H,25,26)(H,22,23,24);1-2H3
InChIKeyVVUFGWSRNKMYBS-UHFFFAOYSA-N
XLogP4.47
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane with MolForge

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Related Compounds

6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid
CID 163382909
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 67094756
6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
CID 133359877
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane (CID 163382908) is 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane is CC.COc1ccc(CNc2nc3ncc(C(=O)O)cc3c3c2CCC3)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane?
The InChIKey is VVUFGWSRNKMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4.C2H6/c1-27-14-7-6-12(18(9-14)28-2)10-22-19-16-5-3-4-15(16)17-8-13(21(25)26)11-23-20(17)24-19;1-2/h6-9,11H,3-5,10H2,1-2H3,(H,25,26)(H,22,23,24);1-2H3.
What are the key properties of 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane?
6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane has a molecular weight of 409.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 163382908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).