propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate

C21H23NO4 — CID 66666986

IUPACpropyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCCCOC(=O)c1c2ccccc2n2cc(OC(C)CC(C)=O)ccc12
InChIInChI=1S/C21H23NO4/c1-4-11-25-21(24)20-17-7-5-6-8-18(17)22-13-16(9-10-19(20)22)26-15(3)12-14(2)23/h5-10,13,15H,4,11-12H2,1-3H3
InChIKeyILRNAJNTEGBIID-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.41
Rot. Bonds7

About propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate

propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666986) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namepropyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66666986
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namepropyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCCCOC(=O)c1c2ccccc2n2cc(OC(C)CC(C)=O)ccc12
InChIInChI=1S/C21H23NO4/c1-4-11-25-21(24)20-17-7-5-6-8-18(17)22-13-16(9-10-19(20)22)26-15(3)12-14(2)23/h5-10,13,15H,4,11-12H2,1-3H3
InChIKeyILRNAJNTEGBIID-UHFFFAOYSA-N
XLogP4.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate with MolForge

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Related Compounds

propyl 7-(5,5,5-trifluoro-4-oxopentan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667848
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666599
7-(1-cyanopropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylic acid
CID 123477729
ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666885
2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667174
4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
CID 69058213
propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666595
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
4-(4-ethylphenoxy)pentan-2-one
CID 64698154

Frequently Asked Questions

What is the IUPAC name of propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate (CID 66666986) is propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate is CCCOC(=O)c1c2ccccc2n2cc(OC(C)CC(C)=O)ccc12.
What is the InChIKey of propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is ILRNAJNTEGBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-4-11-25-21(24)20-17-7-5-6-8-18(17)22-13-16(9-10-19(20)22)26-15(3)12-14(2)23/h5-10,13,15H,4,11-12H2,1-3H3.
What are the key properties of propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate?
propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).