[5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C18H19ClFN3O3 — CID 71886055

IUPAC[5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCC(O)c2ccc(F)cc2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H19ClFN3O3/c19-15-9-13(18(25)23-5-7-26-8-6-23)10-21-17(15)22-11-16(24)12-1-3-14(20)4-2-12/h1-4,9-10,16,24H,5-8,11H2,(H,21,22)
InChIKeySNQNHOCQWOHPMN-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.49
Rot. Bonds5

About [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 71886055) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID71886055
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC Name[5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCC(O)c2ccc(F)cc2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H19ClFN3O3/c19-15-9-13(18(25)23-5-7-26-8-6-23)10-21-17(15)22-11-16(24)12-1-3-14(20)4-2-12/h1-4,9-10,16,24H,5-8,11H2,(H,21,22)
InChIKeySNQNHOCQWOHPMN-UHFFFAOYSA-N
XLogP2.49
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 71886055) is [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCC(O)c2ccc(F)cc2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is SNQNHOCQWOHPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c19-15-9-13(18(25)23-5-7-26-8-6-23)10-21-17(15)22-11-16(24)12-1-3-14(20)4-2-12/h1-4,9-10,16,24H,5-8,11H2,(H,21,22).
What are the key properties of [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 379.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71886055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).