4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide

C28H45N3O2 — CID 44534039

IUPAC4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide
SMILESCCCCCCCN(CCCCCCC)CCCC(=O)Nc1ccnc2ccc(OC)cc12
InChIInChI=1S/C28H45N3O2/c1-4-6-8-10-12-20-31(21-13-11-9-7-5-2)22-14-15-28(32)30-27-18-19-29-26-17-16-24(33-3)23-25(26)27/h16-19,23H,4-15,20-22H2,1-3H3,(H,29,30,32)
InChIKeyCQQCGQLEARGPIC-UHFFFAOYSA-N
MW455.69 g/mol
LogP7.20
Rot. Bonds18

About 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide

4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide (PubChem CID 44534039) has the molecular formula C28H45N3O2 and a molecular weight of 455.69 g/mol. Its IUPAC name is 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide.

Molecular Properties

Compound Name4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide
PubChem CID44534039
Molecular FormulaC28H45N3O2
Molecular Weight455.69 g/mol
Exact Mass455.35
IUPAC Name4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide
SMILESCCCCCCCN(CCCCCCC)CCCC(=O)Nc1ccnc2ccc(OC)cc12
InChIInChI=1S/C28H45N3O2/c1-4-6-8-10-12-20-31(21-13-11-9-7-5-2)22-14-15-28(32)30-27-18-19-29-26-17-16-24(33-3)23-25(26)27/h16-19,23H,4-15,20-22H2,1-3H3,(H,29,30,32)
InChIKeyCQQCGQLEARGPIC-UHFFFAOYSA-N
XLogP7.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.69
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
1-[1-heptyl-3-(hydroxymethyl)piperidin-4-yl]-3-(6-methoxyquinolin-4-yl)urea;oxalic acid
CID 18177046
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848

Frequently Asked Questions

What is the IUPAC name of 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide?
The IUPAC name of 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide (CID 44534039) is 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide.
What is the SMILES notation for 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide?
The canonical SMILES for 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide is CCCCCCCN(CCCCCCC)CCCC(=O)Nc1ccnc2ccc(OC)cc12.
What is the InChIKey of 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide?
The InChIKey is CQQCGQLEARGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N3O2/c1-4-6-8-10-12-20-31(21-13-11-9-7-5-2)22-14-15-28(32)30-27-18-19-29-26-17-16-24(33-3)23-25(26)27/h16-19,23H,4-15,20-22H2,1-3H3,(H,29,30,32).
What are the key properties of 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide?
4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide has a molecular weight of 455.69 g/mol, XLogP of 7.20, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide is sourced from PubChem (CID 44534039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).