8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one

C23H23ClN2O4 — CID 89277831

IUPAC8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one
SMILESCOCC1(c2ccccc2NCC2=CCC(Cl)O2)CCn2c1cc1occc1c2=O
InChIInChI=1S/C23H23ClN2O4/c1-28-14-23(9-10-26-20(23)12-19-16(22(26)27)8-11-29-19)17-4-2-3-5-18(17)25-13-15-6-7-21(24)30-15/h2-6,8,11-12,21,25H,7,9-10,13-14H2,1H3
InChIKeyMZSRVTLMDJEPER-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.21
Rot. Bonds6

About 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one

8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one (PubChem CID 89277831) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one.

Molecular Properties

Compound Name8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one
PubChem CID89277831
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one
SMILESCOCC1(c2ccccc2NCC2=CCC(Cl)O2)CCn2c1cc1occc1c2=O
InChIInChI=1S/C23H23ClN2O4/c1-28-14-23(9-10-26-20(23)12-19-16(22(26)27)8-11-29-19)17-4-2-3-5-18(17)25-13-15-6-7-21(24)30-15/h2-6,8,11-12,21,25H,7,9-10,13-14H2,1H3
InChIKeyMZSRVTLMDJEPER-UHFFFAOYSA-N
XLogP4.21
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one?
The IUPAC name of 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one (CID 89277831) is 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one.
What is the SMILES notation for 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one?
The canonical SMILES for 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one is COCC1(c2ccccc2NCC2=CCC(Cl)O2)CCn2c1cc1occc1c2=O.
What is the InChIKey of 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one?
The InChIKey is MZSRVTLMDJEPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-28-14-23(9-10-26-20(23)12-19-16(22(26)27)8-11-29-19)17-4-2-3-5-18(17)25-13-15-6-7-21(24)30-15/h2-6,8,11-12,21,25H,7,9-10,13-14H2,1H3.
What are the key properties of 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one?
8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one has a molecular weight of 426.90 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one is sourced from PubChem (CID 89277831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).