methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate

C14H10ClNO2 — CID 102287162

IUPACmethyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)c1cc(Cl)n2ccc3ccccc3c12
InChIInChI=1S/C14H10ClNO2/c1-18-14(17)11-8-12(15)16-7-6-9-4-2-3-5-10(9)13(11)16/h2-8H,1H3
InChIKeyTYEMDKDUSLIKAA-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.53
Rot. Bonds1

About methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate

methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate (PubChem CID 102287162) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
PubChem CID102287162
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Namemethyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)c1cc(Cl)n2ccc3ccccc3c12
InChIInChI=1S/C14H10ClNO2/c1-18-14(17)11-8-12(15)16-7-6-9-4-2-3-5-10(9)13(11)16/h2-8H,1H3
InChIKeyTYEMDKDUSLIKAA-UHFFFAOYSA-N
XLogP3.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(1-methoxycarbonylpyrrolo[2,1-a]isoquinolin-3-yl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 25189390
methyl 3-phenylpyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287158
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 15349507
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
1-[3-(3,4,5-trimethoxybenzoyl)pyrrolo[2,1-a]isoquinolin-1-yl]ethanone
CID 171714424
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl 3-[2-(dimethylamino)acetyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
CID 170895678
dimethyl 3-(4-methoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
CID 44612861
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 7-chlorophenanthrene-9-carboxylate
CID 10730795

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The IUPAC name of methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate (CID 102287162) is methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate.
What is the SMILES notation for methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The canonical SMILES for methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate is COC(=O)c1cc(Cl)n2ccc3ccccc3c12.
What is the InChIKey of methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The InChIKey is TYEMDKDUSLIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-18-14(17)11-8-12(15)16-7-6-9-4-2-3-5-10(9)13(11)16/h2-8H,1H3.
What are the key properties of methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate?
methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate has a molecular weight of 259.69 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate is sourced from PubChem (CID 102287162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).