N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide

C22H25N3O2 — CID 1118804

IUPACN-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H25N3O2/c1-4-6-19(26)24-20(16-8-11-17(12-9-16)25(2)3)18-13-10-15-7-5-14-23-21(15)22(18)27/h5,7-14,20,27H,4,6H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyHANQQPWMPODWNH-HXUWFJFHSA-N
MW363.46 g/mol
LogP4.01
Rot. Bonds6

About N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide

N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide (PubChem CID 1118804) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
PubChem CID1118804
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H25N3O2/c1-4-6-19(26)24-20(16-8-11-17(12-9-16)25(2)3)18-13-10-15-7-5-14-23-21(15)22(18)27/h5,7-14,20,27H,4,6H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyHANQQPWMPODWNH-HXUWFJFHSA-N
XLogP4.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.01
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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Related Compounds

N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
CID 7064514
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 161052145
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
CID 57383852
N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
CID 176719634

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The IUPAC name of N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide (CID 1118804) is N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide.
What is the SMILES notation for N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The canonical SMILES for N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide is CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The InChIKey is HANQQPWMPODWNH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-6-19(26)24-20(16-8-11-17(12-9-16)25(2)3)18-13-10-15-7-5-14-23-21(15)22(18)27/h5,7-14,20,27H,4,6H2,1-3H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide?
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide has a molecular weight of 363.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide is sourced from PubChem (CID 1118804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).