N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide

C23H26N2O4 — CID 91297098

IUPACN-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide
SMILESCC(C)Oc1ccc(Oc2ccc3cc(C(C)N(C=O)CCO)ccc3n2)cc1
InChIInChI=1S/C23H26N2O4/c1-16(2)28-20-6-8-21(9-7-20)29-23-11-5-19-14-18(4-10-22(19)24-23)17(3)25(15-27)12-13-26/h4-11,14-17,26H,12-13H2,1-3H3
InChIKeyWGRIEMGSTVWAEP-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.33
Rot. Bonds9

About N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide

N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide (PubChem CID 91297098) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide
PubChem CID91297098
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide
SMILESCC(C)Oc1ccc(Oc2ccc3cc(C(C)N(C=O)CCO)ccc3n2)cc1
InChIInChI=1S/C23H26N2O4/c1-16(2)28-20-6-8-21(9-7-20)29-23-11-5-19-14-18(4-10-22(19)24-23)17(3)25(15-27)12-13-26/h4-11,14-17,26H,12-13H2,1-3H3
InChIKeyWGRIEMGSTVWAEP-UHFFFAOYSA-N
XLogP4.33
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide (CID 91297098) is N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide is CC(C)Oc1ccc(Oc2ccc3cc(C(C)N(C=O)CCO)ccc3n2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide?
The InChIKey is WGRIEMGSTVWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16(2)28-20-6-8-21(9-7-20)29-23-11-5-19-14-18(4-10-22(19)24-23)17(3)25(15-27)12-13-26/h4-11,14-17,26H,12-13H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide?
N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide has a molecular weight of 394.47 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]formamide is sourced from PubChem (CID 91297098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).