ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate

C22H17NO3 — CID 15632065

IUPACethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc3ccccc23)c2ccccn2c1=O
InChIInChI=1S/C22H17NO3/c1-2-26-22(25)19-14-18(20-12-5-6-13-23(20)21(19)24)17-11-7-9-15-8-3-4-10-16(15)17/h3-14H,2H2,1H3
InChIKeySFOHGYQSJRALLO-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.30
Rot. Bonds3

About ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate

ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate (PubChem CID 15632065) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
PubChem CID15632065
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Nameethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc3ccccc23)c2ccccn2c1=O
InChIInChI=1S/C22H17NO3/c1-2-26-22(25)19-14-18(20-12-5-6-13-23(20)21(19)24)17-11-7-9-15-8-3-4-10-16(15)17/h3-14H,2H2,1H3
InChIKeySFOHGYQSJRALLO-UHFFFAOYSA-N
XLogP4.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
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CID 142738035
ethyl 3-ethylindolizine-1-carboxylate
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ethyl chrysene-1-carboxylate
CID 86251232
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CID 135029591
ethyl 2-pyren-1-ylbenzoate
CID 58219965
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
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ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 59822486
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate
CID 600176
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CID 18670784

Frequently Asked Questions

What is the IUPAC name of ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate (CID 15632065) is ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(-c2cccc3ccccc23)c2ccccn2c1=O.
What is the InChIKey of ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate?
The InChIKey is SFOHGYQSJRALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-2-26-22(25)19-14-18(20-12-5-6-13-23(20)21(19)24)17-11-7-9-15-8-3-4-10-16(15)17/h3-14H,2H2,1H3.
What are the key properties of ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate?
ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 15632065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).