N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide

C24H26N4O2 — CID 57383849

IUPACN-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1ccc(N(C)C)c(C#N)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C24H26N4O2/c1-15(2)12-21(29)27-22(17-8-10-20(28(3)4)18(13-17)14-25)19-9-7-16-6-5-11-26-23(16)24(19)30/h5-11,13,15,22,30H,12H2,1-4H3,(H,27,29)
InChIKeyNUJWRHVDNYNYCG-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.13
Rot. Bonds6

About N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide

N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide (PubChem CID 57383849) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
PubChem CID57383849
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1ccc(N(C)C)c(C#N)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C24H26N4O2/c1-15(2)12-21(29)27-22(17-8-10-20(28(3)4)18(13-17)14-25)19-9-7-16-6-5-11-26-23(16)24(19)30/h5-11,13,15,22,30H,12H2,1-4H3,(H,27,29)
InChIKeyNUJWRHVDNYNYCG-UHFFFAOYSA-N
XLogP4.13
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide with MolForge

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Related Compounds

N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
CID 1084497
N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
CID 57383852
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(8-hydroxyquinolin-7-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-methylbutanamide
CID 57383807
N-[(8-hydroxyquinolin-7-yl)-(4-imidazol-1-ylphenyl)methyl]-3-methylbutanamide;2,2,2-trifluoroacetic acid
CID 57383880
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
CID 7064514
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663

Frequently Asked Questions

What is the IUPAC name of N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide (CID 57383849) is N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide is CC(C)CC(=O)NC(c1ccc(N(C)C)c(C#N)c1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide?
The InChIKey is NUJWRHVDNYNYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15(2)12-21(29)27-22(17-8-10-20(28(3)4)18(13-17)14-25)19-9-7-16-6-5-11-26-23(16)24(19)30/h5-11,13,15,22,30H,12H2,1-4H3,(H,27,29).
What are the key properties of N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide?
N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide has a molecular weight of 402.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-cyano-4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 57383849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).