N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide

C24H28ClN3O2 — CID 2929156

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C24H28ClN3O2/c1-4-8-21(29)27-22(16-10-12-17(13-11-16)28(5-2)6-3)19-15-20(25)18-9-7-14-26-23(18)24(19)30/h7,9-15,22,30H,4-6,8H2,1-3H3,(H,27,29)
InChIKeyWHQCGANOTXJOPB-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.45
Rot. Bonds8

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide (PubChem CID 2929156) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide
PubChem CID2929156
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C24H28ClN3O2/c1-4-8-21(29)27-22(16-10-12-17(13-11-16)28(5-2)6-3)19-15-20(25)18-9-7-14-26-23(18)24(19)30/h7,9-15,22,30H,4-6,8H2,1-3H3,(H,27,29)
InChIKeyWHQCGANOTXJOPB-UHFFFAOYSA-N
XLogP5.45
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide (CID 2929156) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide is CCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide?
The InChIKey is WHQCGANOTXJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-4-8-21(29)27-22(16-10-12-17(13-11-16)28(5-2)6-3)19-15-20(25)18-9-7-14-26-23(18)24(19)30/h7,9-15,22,30H,4-6,8H2,1-3H3,(H,27,29).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide has a molecular weight of 425.96 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-[4-(diethylamino)phenyl]methyl]butanamide is sourced from PubChem (CID 2929156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).