methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

C17H20N2O3 — CID 66498695

IUPACmethyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(C3CCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-10-14-13(15(11(2)18-10)17(21)22-3)8-9-19(16(14)20)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyIRDXHXACHVRBEU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.92
Rot. Bonds2

About methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (PubChem CID 66498695) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
PubChem CID66498695
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(C3CCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-10-14-13(15(11(2)18-10)17(21)22-3)8-9-19(16(14)20)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyIRDXHXACHVRBEU-UHFFFAOYSA-N
XLogP2.92
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 5714513
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CID 5771494
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CID 50878126
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CID 5714512
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CID 10807082
CID 10807082
CID 43864520
CID 43864520
CID 43864521
CID 43864521
CID 45106203
CID 45106203
CID 1481797
CID 1481797
CID 28383491
CID 28383491
CID 42582004
CID 42582004
CID 25252152
CID 25252152

Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (CID 66498695) is methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is COC(=O)c1c(C)nc(C)c2c(=O)n(C3CCCC3)ccc12.
What is the InChIKey of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The InChIKey is IRDXHXACHVRBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-14-13(15(11(2)18-10)17(21)22-3)8-9-19(16(14)20)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 66498695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).