ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate

C19H24N4O2 — CID 91299827

IUPACethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2c(C(C)CC)nc3cccnc3c21
InChIInChI=1S/C19H24N4O2/c1-4-13(3)16-18-19(17-14(22-16)8-6-10-20-17)23(12-21-18)11-7-9-15(24)25-5-2/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3
InChIKeyHXFNKKOTUXNIAP-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.84
Rot. Bonds7

About ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate

ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate (PubChem CID 91299827) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate
PubChem CID91299827
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nameethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2c(C(C)CC)nc3cccnc3c21
InChIInChI=1S/C19H24N4O2/c1-4-13(3)16-18-19(17-14(22-16)8-6-10-20-17)23(12-21-18)11-7-9-15(24)25-5-2/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3
InChIKeyHXFNKKOTUXNIAP-UHFFFAOYSA-N
XLogP3.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine
CID 91519763
1-[4-[4-(4-aminobutan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-butylurea
CID 54378483
ethyl 4-pyrrolo[2,3-b]pyridin-1-ylbutanoate
CID 58803600
N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide
CID 23525615
6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide
CID 91506245
CID 87827558
CID 87827558
ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
ethyl 3-(benzotriazol-2-yl)propanoate
CID 3783568
4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine
CID 91258990
ethyl butanoate;quinoline
CID 174829531
2-[2-[2-(4-butan-2-ylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethoxy]isoindole-1,3-dione
CID 91326951
ethyl 7-(2,6-dichloropurin-9-yl)heptanoate
CID 118366979

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate?
The IUPAC name of ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate (CID 91299827) is ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate is CCOC(=O)CCCn1cnc2c(C(C)CC)nc3cccnc3c21.
What is the InChIKey of ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate?
The InChIKey is HXFNKKOTUXNIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-13(3)16-18-19(17-14(22-16)8-6-10-20-17)23(12-21-18)11-7-9-15(24)25-5-2/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3.
What are the key properties of ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate?
ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate has a molecular weight of 340.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-butan-2-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)butanoate is sourced from PubChem (CID 91299827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).