methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate

C27H22N2O3 — CID 10788357

IUPACmethyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1
InChIInChI=1S/C27H22N2O3/c1-32-27(31)24(18-10-3-2-4-11-18)29-26(30)23-20-13-7-8-14-22(20)28-25-19-12-6-5-9-17(19)15-16-21(23)25/h2-14,24H,15-16H2,1H3,(H,29,30)
InChIKeyUFGKYXQJYBSGBA-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.64
Rot. Bonds4

About methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate

methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate (PubChem CID 10788357) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate
PubChem CID10788357
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Namemethyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1
InChIInChI=1S/C27H22N2O3/c1-32-27(31)24(18-10-3-2-4-11-18)29-26(30)23-20-13-7-8-14-22(20)28-25-19-12-6-5-9-17(19)15-16-21(23)25/h2-14,24H,15-16H2,1H3,(H,29,30)
InChIKeyUFGKYXQJYBSGBA-UHFFFAOYSA-N
XLogP4.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate (CID 10788357) is methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate is COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1.
What is the InChIKey of methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate?
The InChIKey is UFGKYXQJYBSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-32-27(31)24(18-10-3-2-4-11-18)29-26(30)23-20-13-7-8-14-22(20)28-25-19-12-6-5-9-17(19)15-16-21(23)25/h2-14,24H,15-16H2,1H3,(H,29,30).
What are the key properties of methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate?
methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate has a molecular weight of 422.48 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dihydrobenzo[c]acridine-7-carbonylamino)-2-phenylacetate is sourced from PubChem (CID 10788357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).