[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone

C22H22N2O3 — CID 118781048

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone
SMILESCc1ccc2cc(-c3ccc(C(=O)N4CCOCC4CO)cc3)ccc2n1
InChIInChI=1S/C22H22N2O3/c1-15-2-3-19-12-18(8-9-21(19)23-15)16-4-6-17(7-5-16)22(26)24-10-11-27-14-20(24)13-25/h2-9,12,20,25H,10-11,13-14H2,1H3
InChIKeyDSAPEVSZVGSECH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.04
Rot. Bonds3

About [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone

[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone (PubChem CID 118781048) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone
PubChem CID118781048
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone
SMILESCc1ccc2cc(-c3ccc(C(=O)N4CCOCC4CO)cc3)ccc2n1
InChIInChI=1S/C22H22N2O3/c1-15-2-3-19-12-18(8-9-21(19)23-15)16-4-6-17(7-5-16)22(26)24-10-11-27-14-20(24)13-25/h2-9,12,20,25H,10-11,13-14H2,1H3
InChIKeyDSAPEVSZVGSECH-UHFFFAOYSA-N
XLogP3.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone (CID 118781048) is [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone is Cc1ccc2cc(-c3ccc(C(=O)N4CCOCC4CO)cc3)ccc2n1.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone?
The InChIKey is DSAPEVSZVGSECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-2-3-19-12-18(8-9-21(19)23-15)16-4-6-17(7-5-16)22(26)24-10-11-27-14-20(24)13-25/h2-9,12,20,25H,10-11,13-14H2,1H3.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone?
[3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-[4-(2-methylquinolin-6-yl)phenyl]methanone is sourced from PubChem (CID 118781048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).