aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate

C14H13N3O2 — CID 142655746

IUPACaminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate
SMILESNCOC(=O)Cc1cc2ccc3ncccc3c2[nH]1
InChIInChI=1S/C14H13N3O2/c15-8-19-13(18)7-10-6-9-3-4-12-11(14(9)17-10)2-1-5-16-12/h1-6,17H,7-8,15H2
InChIKeyQSUBZFIQIAJZIK-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.72
Rot. Bonds3

About aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate

aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate (PubChem CID 142655746) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate.

Molecular Properties

Compound Nameaminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate
PubChem CID142655746
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Nameaminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate
SMILESNCOC(=O)Cc1cc2ccc3ncccc3c2[nH]1
InChIInChI=1S/C14H13N3O2/c15-8-19-13(18)7-10-6-9-3-4-12-11(14(9)17-10)2-1-5-16-12/h1-6,17H,7-8,15H2
InChIKeyQSUBZFIQIAJZIK-UHFFFAOYSA-N
XLogP1.72
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1H-pyrrolo[2,3-f]quinolin-2-ylmethanol
CID 15629235
methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate
CID 15629233
1H-1,7-phenanthrolin-2-one
CID 66612290
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556
benzo[f]quinoline;iodomethane
CID 21121996
ethyl 2-(5-nitroquinolin-6-yl)acetate
CID 53419418
3H-imidazo[4,5-f]quinoline-2-carboxamide
CID 142678216
1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
CID 10375912
(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543109
2H-pyrido[2,3-h]cinnolin-3-one
CID 70280664

Frequently Asked Questions

What is the IUPAC name of aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate?
The IUPAC name of aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate (CID 142655746) is aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate.
What is the SMILES notation for aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate?
The canonical SMILES for aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate is NCOC(=O)Cc1cc2ccc3ncccc3c2[nH]1.
What is the InChIKey of aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate?
The InChIKey is QSUBZFIQIAJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-8-19-13(18)7-10-6-9-3-4-12-11(14(9)17-10)2-1-5-16-12/h1-6,17H,7-8,15H2.
What are the key properties of aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate?
aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate has a molecular weight of 255.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate is sourced from PubChem (CID 142655746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).