phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate

C32H26N4O7 — CID 69316965

IUPACphenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
SMILESO=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1cc(Oc2ccc3c(ccn3C(=O)N3CCOCC3)c2)ccn1
InChIInChI=1S/C32H26N4O7/c37-30(34-17-19-40-20-18-34)35-16-14-23-21-26(11-12-28(23)35)41-27-13-15-33-29(22-27)36(31(38)42-24-7-3-1-4-8-24)32(39)43-25-9-5-2-6-10-25/h1-16,21-22H,17-20H2
InChIKeyHLMBIQRZOUPWEG-UHFFFAOYSA-N
MW578.58 g/mol
LogP6.33
Rot. Bonds5

About phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate

phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate (PubChem CID 69316965) has the molecular formula C32H26N4O7 and a molecular weight of 578.58 g/mol. Its IUPAC name is phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate.

Molecular Properties

Compound Namephenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
PubChem CID69316965
Molecular FormulaC32H26N4O7
Molecular Weight578.58 g/mol
Exact Mass578.18
IUPAC Namephenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
SMILESO=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1cc(Oc2ccc3c(ccn3C(=O)N3CCOCC3)c2)ccn1
InChIInChI=1S/C32H26N4O7/c37-30(34-17-19-40-20-18-34)35-16-14-23-21-26(11-12-28(23)35)41-27-13-15-33-29(22-27)36(31(38)42-24-7-3-1-4-8-24)32(39)43-25-9-5-2-6-10-25/h1-16,21-22H,17-20H2
InChIKeyHLMBIQRZOUPWEG-UHFFFAOYSA-N
XLogP6.33
TPSA112.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.58
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
The IUPAC name of phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate (CID 69316965) is phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate.
What is the SMILES notation for phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
The canonical SMILES for phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate is O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1cc(Oc2ccc3c(ccn3C(=O)N3CCOCC3)c2)ccn1.
What is the InChIKey of phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
The InChIKey is HLMBIQRZOUPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O7/c37-30(34-17-19-40-20-18-34)35-16-14-23-21-26(11-12-28(23)35)41-27-13-15-33-29(22-27)36(31(38)42-24-7-3-1-4-8-24)32(39)43-25-9-5-2-6-10-25/h1-16,21-22H,17-20H2.
What are the key properties of phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate has a molecular weight of 578.58 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate is sourced from PubChem (CID 69316965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).