methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

C20H20N2O3 — CID 112535228

IUPACmethyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C20H20N2O3/c1-25-20(24)18-11-21-10-16-12-22(8-7-17(16)18)19(23)15-6-5-13-3-2-4-14(13)9-15/h5-6,9-11H,2-4,7-8,12H2,1H3
InChIKeyGPROIWRQIIZJIJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.56
Rot. Bonds2

About methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (PubChem CID 112535228) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
PubChem CID112535228
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namemethyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C20H20N2O3/c1-25-20(24)18-11-21-10-16-12-22(8-7-17(16)18)19(23)15-6-5-13-3-2-4-14(13)9-15/h5-6,9-11H,2-4,7-8,12H2,1H3
InChIKeyGPROIWRQIIZJIJ-UHFFFAOYSA-N
XLogP2.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate with MolForge

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Related Compounds

methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535184
methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535220
methyl 7-[2-(4-methylphenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535197
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
methyl 2-(2,3-dihydro-1H-indene-5-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757669
7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476737
methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 68508040
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532738
methyl 4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808701
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735
methyl 2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 58147386

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (CID 112535228) is methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is COC(=O)c1cncc2c1CCN(C(=O)c1ccc3c(c1)CCC3)C2.
What is the InChIKey of methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The InChIKey is GPROIWRQIIZJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-20(24)18-11-21-10-16-12-22(8-7-17(16)18)19(23)15-6-5-13-3-2-4-14(13)9-15/h5-6,9-11H,2-4,7-8,12H2,1H3.
What are the key properties of methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 112535228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).