ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate

C21H26N2O4 — CID 66666885

IUPACethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(OC(CCO)CN(C)C)ccc12
InChIInChI=1S/C21H26N2O4/c1-4-26-21(25)20-17-7-5-6-8-18(17)23-14-15(9-10-19(20)23)27-16(11-12-24)13-22(2)3/h5-10,14,16,24H,4,11-13H2,1-3H3
InChIKeyCUTDEKCSPQTSFJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.96
Rot. Bonds8

About ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate

ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666885) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66666885
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nameethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(OC(CCO)CN(C)C)ccc12
InChIInChI=1S/C21H26N2O4/c1-4-26-21(25)20-17-7-5-6-8-18(17)23-14-15(9-10-19(20)23)27-16(11-12-24)13-22(2)3/h5-10,14,16,24H,4,11-13H2,1-3H3
InChIKeyCUTDEKCSPQTSFJ-UHFFFAOYSA-N
XLogP2.96
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate with MolForge

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Related Compounds

4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
CID 69058213
propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666986
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
propyl 7-(5,5,5-trifluoro-4-oxopentan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667848
2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
CID 66667646
ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
CID 66667453
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067
2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate
CID 66666818
2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667174
(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666801

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate (CID 66666885) is ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccccc2n2cc(OC(CCO)CN(C)C)ccc12.
What is the InChIKey of ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is CUTDEKCSPQTSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-26-21(25)20-17-7-5-6-8-18(17)23-14-15(9-10-19(20)23)27-16(11-12-24)13-22(2)3/h5-10,14,16,24H,4,11-13H2,1-3H3.
What are the key properties of ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).