N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide

C21H23N3O2 — CID 7064517

IUPACN-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
SMILESCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H23N3O2/c1-4-18(25)23-19(15-7-10-16(11-8-15)24(2)3)17-12-9-14-6-5-13-22-20(14)21(17)26/h5-13,19,26H,4H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyYOCJYBMQWMFFSG-IBGZPJMESA-N
MW349.43 g/mol
LogP3.62
Rot. Bonds5

About N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide

N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide (PubChem CID 7064517) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
PubChem CID7064517
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
SMILESCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H23N3O2/c1-4-18(25)23-19(15-7-10-16(11-8-15)24(2)3)17-12-9-14-6-5-13-22-20(14)21(17)26/h5-13,19,26H,4H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyYOCJYBMQWMFFSG-IBGZPJMESA-N
XLogP3.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.62
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-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 161052145
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
CID 57383852
N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
CID 57383849
N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
CID 1084497
N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
CID 176719634
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide?
The IUPAC name of N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide (CID 7064517) is N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide.
What is the SMILES notation for N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide?
The canonical SMILES for N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide is CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide?
The InChIKey is YOCJYBMQWMFFSG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-18(25)23-19(15-7-10-16(11-8-15)24(2)3)17-12-9-14-6-5-13-22-20(14)21(17)26/h5-13,19,26H,4H2,1-3H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide?
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide is sourced from PubChem (CID 7064517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).