benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate

C21H16N2O3 — CID 142717448

IUPACbenzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate
SMILESN/C(=C\C(=O)OCc1ccccc1)c1cc2cnc3ccccc3c2o1
InChIInChI=1S/C21H16N2O3/c22-17(11-20(24)25-13-14-6-2-1-3-7-14)19-10-15-12-23-18-9-5-4-8-16(18)21(15)26-19/h1-12H,13,22H2/b17-11-
InChIKeyMHFWRYVWGNOHPB-BOPFTXTBSA-N
MW344.37 g/mol
LogP4.02
Rot. Bonds4

About benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate

benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate (PubChem CID 142717448) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate.

Molecular Properties

Compound Namebenzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate
PubChem CID142717448
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Namebenzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate
SMILESN/C(=C\C(=O)OCc1ccccc1)c1cc2cnc3ccccc3c2o1
InChIInChI=1S/C21H16N2O3/c22-17(11-20(24)25-13-14-6-2-1-3-7-14)19-10-15-12-23-18-9-5-4-8-16(18)21(15)26-19/h1-12H,13,22H2/b17-11-
InChIKeyMHFWRYVWGNOHPB-BOPFTXTBSA-N
XLogP4.02
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate?
The IUPAC name of benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate (CID 142717448) is benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate.
What is the SMILES notation for benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate?
The canonical SMILES for benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate is N/C(=C\C(=O)OCc1ccccc1)c1cc2cnc3ccccc3c2o1.
What is the InChIKey of benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate?
The InChIKey is MHFWRYVWGNOHPB-BOPFTXTBSA-N. The full InChI is InChI=1S/C21H16N2O3/c22-17(11-20(24)25-13-14-6-2-1-3-7-14)19-10-15-12-23-18-9-5-4-8-16(18)21(15)26-19/h1-12H,13,22H2/b17-11-.
What are the key properties of benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate?
benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate has a molecular weight of 344.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z)-3-amino-3-furo[3,2-c]quinolin-2-ylprop-2-enoate is sourced from PubChem (CID 142717448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).