N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide

C25H31N3O2 — CID 2920952

IUPACN-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29)
InChIKeyWTVLPUWOVVAQKG-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.18
Rot. Bonds9

About N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide

N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide (PubChem CID 2920952) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
PubChem CID2920952
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29)
InChIKeyWTVLPUWOVVAQKG-UHFFFAOYSA-N
XLogP5.18
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.18
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-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide (CID 2920952) is N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide is CCCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The InChIKey is WTVLPUWOVVAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29).
What are the key properties of N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide has a molecular weight of 405.54 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide is sourced from PubChem (CID 2920952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).