N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide

C27H31N3O7 — CID 53320358

IUPACN-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCCO
InChIInChI=1S/C27H31N3O7/c31-10-15-36-24-16-19(4-5-22(24)28-25(33)18-29-6-11-34-12-7-29)20-2-1-3-21-23(32)17-26(37-27(20)21)30-8-13-35-14-9-30/h1-5,16-17,31H,6-15,18H2,(H,28,33)
InChIKeyPQZFDPWVTZLXPJ-UHFFFAOYSA-N
MW509.56 g/mol
LogP1.94
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide

N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 53320358) has the molecular formula C27H31N3O7 and a molecular weight of 509.56 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID53320358
Molecular FormulaC27H31N3O7
Molecular Weight509.56 g/mol
Exact Mass509.22
IUPAC NameN-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCCO
InChIInChI=1S/C27H31N3O7/c31-10-15-36-24-16-19(4-5-22(24)28-25(33)18-29-6-11-34-12-7-29)20-2-1-3-21-23(32)17-26(37-27(20)21)30-8-13-35-14-9-30/h1-5,16-17,31H,6-15,18H2,(H,28,33)
InChIKeyPQZFDPWVTZLXPJ-UHFFFAOYSA-N
XLogP1.94
TPSA113.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (CID 53320358) is N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is PQZFDPWVTZLXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O7/c31-10-15-36-24-16-19(4-5-22(24)28-25(33)18-29-6-11-34-12-7-29)20-2-1-3-21-23(32)17-26(37-27(20)21)30-8-13-35-14-9-30/h1-5,16-17,31H,6-15,18H2,(H,28,33).
What are the key properties of N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 509.56 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 53320358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).