4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol

C22H24ClN3O2 — CID 135971374

IUPAC4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol
SMILESOc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCCN1CCOCC1
InChIInChI=1S/C22H24ClN3O2/c23-18-2-3-20-19(5-6-25-21(20)14-18)16-1-4-22(27)17(13-16)15-24-7-8-26-9-11-28-12-10-26/h1-6,13-14,24,27H,7-12,15H2
InChIKeyCKCHGJPCWYTDRB-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.68
Rot. Bonds6

About 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol

4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol (PubChem CID 135971374) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol
PubChem CID135971374
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol
SMILESOc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCCN1CCOCC1
InChIInChI=1S/C22H24ClN3O2/c23-18-2-3-20-19(5-6-25-21(20)14-18)16-1-4-22(27)17(13-16)15-24-7-8-26-9-11-28-12-10-26/h1-6,13-14,24,27H,7-12,15H2
InChIKeyCKCHGJPCWYTDRB-UHFFFAOYSA-N
XLogP3.68
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol (CID 135971374) is 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol is Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCCN1CCOCC1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
The InChIKey is CKCHGJPCWYTDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-2-3-20-19(5-6-25-21(20)14-18)16-1-4-22(27)17(13-16)15-24-7-8-26-9-11-28-12-10-26/h1-6,13-14,24,27H,7-12,15H2.
What are the key properties of 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol has a molecular weight of 397.91 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 135971374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).