7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid

C24H22N2O5 — CID 66667017

IUPAC7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid
SMILESCN(C)C(=O)Oc1cc(OCCc2ccccc2)c2c(C(=O)O)c3ccccc3n2c1
InChIInChI=1S/C24H22N2O5/c1-25(2)24(29)31-17-14-20(30-13-12-16-8-4-3-5-9-16)22-21(23(27)28)18-10-6-7-11-19(18)26(22)15-17/h3-11,14-15H,12-13H2,1-2H3,(H,27,28)
InChIKeyRDBBUCAXCZCYHE-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.47
Rot. Bonds6

About 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid

7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid (PubChem CID 66667017) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid
PubChem CID66667017
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid
SMILESCN(C)C(=O)Oc1cc(OCCc2ccccc2)c2c(C(=O)O)c3ccccc3n2c1
InChIInChI=1S/C24H22N2O5/c1-25(2)24(29)31-17-14-20(30-13-12-16-8-4-3-5-9-16)22-21(23(27)28)18-10-6-7-11-19(18)26(22)15-17/h3-11,14-15H,12-13H2,1-2H3,(H,27,28)
InChIKeyRDBBUCAXCZCYHE-UHFFFAOYSA-N
XLogP4.47
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid with MolForge

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Related Compounds

[10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate
CID 66666974
3-(dimethylcarbamoyloxy)-1-[2-(4-propan-2-yloxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carboxylic acid
CID 66667788
7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
CID 66667656
7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
CID 87097230
7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
CID 66667738
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
CID 66667329
7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
CID 66667797
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
CID 56645538
3-(cyanomethoxy)-1-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carboxylic acid
CID 56644096
2,6-dimethyl-4-(4-phenylbutoxy)benzoic acid
CID 139623906

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid (CID 66667017) is 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid is CN(C)C(=O)Oc1cc(OCCc2ccccc2)c2c(C(=O)O)c3ccccc3n2c1.
What is the InChIKey of 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid?
The InChIKey is RDBBUCAXCZCYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-25(2)24(29)31-17-14-20(30-13-12-16-8-4-3-5-9-16)22-21(23(27)28)18-10-6-7-11-19(18)26(22)15-17/h3-11,14-15H,12-13H2,1-2H3,(H,27,28).
What are the key properties of 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid?
7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid has a molecular weight of 418.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 66667017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).