ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate

C22H22N2O3 — CID 20994529

IUPACethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(N)c(C(=O)c2ccc3c(c2)CCCC3)n2ccccc12
InChIInChI=1S/C22H22N2O3/c1-2-27-22(26)18-17-9-5-6-12-24(17)20(19(18)23)21(25)16-11-10-14-7-3-4-8-15(14)13-16/h5-6,9-13H,2-4,7-8,23H2,1H3
InChIKeyYGCUZJTZCGTESD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.81
Rot. Bonds4

About ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate

ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate (PubChem CID 20994529) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate
PubChem CID20994529
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Nameethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(N)c(C(=O)c2ccc3c(c2)CCCC3)n2ccccc12
InChIInChI=1S/C22H22N2O3/c1-2-27-22(26)18-17-9-5-6-12-24(17)20(19(18)23)21(25)16-11-10-14-7-3-4-8-15(14)13-16/h5-6,9-13H,2-4,7-8,23H2,1H3
InChIKeyYGCUZJTZCGTESD-UHFFFAOYSA-N
XLogP3.81
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
2-amino-3-(4-methoxybenzoyl)indolizine-1-carboxamide
CID 177255832
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
CID 16955584
2-amino-N-(4-ethylphenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576442
diethyl 1-nitroindolizine-2,3-dicarboxylate
CID 139235404
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
CID 18576512
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
dibutyl 3-benzoylindolizine-1,2-dicarboxylate
CID 141260266
3-(4-amino-3-methoxycarbonylbenzoyl)-2-methylindolizine-1-carboxylic acid
CID 151503394
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate (CID 20994529) is ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate is CCOC(=O)c1c(N)c(C(=O)c2ccc3c(c2)CCCC3)n2ccccc12.
What is the InChIKey of ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate?
The InChIKey is YGCUZJTZCGTESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-27-22(26)18-17-9-5-6-12-24(17)20(19(18)23)21(25)16-11-10-14-7-3-4-8-15(14)13-16/h5-6,9-13H,2-4,7-8,23H2,1H3.
What are the key properties of ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate?
ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate is sourced from PubChem (CID 20994529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).