methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate

C21H17NO3 — CID 66667117

IUPACmethyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccccc2n2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C21H17NO3/c1-24-21(23)20-17-9-5-6-10-18(17)22-13-16(11-12-19(20)22)25-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyYRMRCFXIEWLQII-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.46
Rot. Bonds4

About methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate

methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667117) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66667117
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccccc2n2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C21H17NO3/c1-24-21(23)20-17-9-5-6-10-18(17)22-13-16(11-12-19(20)22)25-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyYRMRCFXIEWLQII-UHFFFAOYSA-N
XLogP4.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
CID 69058213
N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide
CID 66667583
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666801
methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667770
methyl 7-(2-methylsulfinylacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667983
dimethyl 8-(hydroxymethyl)-5-(4-phenylmethoxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaene-2,3-dicarboxylate
CID 18706950
methyl 7-(2-chloroethylsulfinyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667495
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 7-(2-morpholin-4-ylacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667489
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390

Frequently Asked Questions

What is the IUPAC name of methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate (CID 66667117) is methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2ccccc2n2cc(OCc3ccccc3)ccc12.
What is the InChIKey of methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is YRMRCFXIEWLQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-21(23)20-17-9-5-6-10-18(17)22-13-16(11-12-19(20)22)25-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3.
What are the key properties of methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate?
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).