6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide

C21H30N4O3 — CID 3671565

IUPAC6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide
SMILESNCCCCC(NC(=O)CCCCCOc1cccc2cccnc12)C(N)=O
InChIInChI=1S/C21H30N4O3/c22-13-4-3-10-17(21(23)27)25-19(26)12-2-1-5-15-28-18-11-6-8-16-9-7-14-24-20(16)18/h6-9,11,14,17H,1-5,10,12-13,15,22H2,(H2,23,27)(H,25,26)
InChIKeyMDHXLZRZKCVJOH-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.27
Rot. Bonds13

About 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide

6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide (PubChem CID 3671565) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide.

Molecular Properties

Compound Name6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide
PubChem CID3671565
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide
SMILESNCCCCC(NC(=O)CCCCCOc1cccc2cccnc12)C(N)=O
InChIInChI=1S/C21H30N4O3/c22-13-4-3-10-17(21(23)27)25-19(26)12-2-1-5-15-28-18-11-6-8-16-9-7-14-24-20(16)18/h6-9,11,14,17H,1-5,10,12-13,15,22H2,(H2,23,27)(H,25,26)
InChIKeyMDHXLZRZKCVJOH-UHFFFAOYSA-N
XLogP2.27
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methyl-3-quinolin-8-yloxypropanamide
CID 43254317
2-quinolin-8-yloxyethanamine
CID 17174906
8-(6-chlorohexoxy)quinoline
CID 62228191
N-(1-aminopropan-2-yl)-2-quinolin-8-yloxyacetamide
CID 110834168
quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate
CID 155665107
8-amino-N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-2-yl)amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]octanamide
CID 71591729
12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 25144019
N-[5-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2,5-dioxopentyl]-8-sulfanylquinoline-7-carboxamide
CID 159141233
4-[(5-chloroquinolin-8-yl)oxymethyl]-N-(1,6-diamino-1-oxohexan-2-yl)benzamide
CID 3680467
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
3-(carbamoylamino)-3-(2-methylphenyl)-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585519

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide?
The IUPAC name of 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide (CID 3671565) is 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide.
What is the SMILES notation for 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide?
The canonical SMILES for 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide is NCCCCC(NC(=O)CCCCCOc1cccc2cccnc12)C(N)=O.
What is the InChIKey of 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide?
The InChIKey is MDHXLZRZKCVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c22-13-4-3-10-17(21(23)27)25-19(26)12-2-1-5-15-28-18-11-6-8-16-9-7-14-24-20(16)18/h6-9,11,14,17H,1-5,10,12-13,15,22H2,(H2,23,27)(H,25,26).
What are the key properties of 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide?
6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide has a molecular weight of 386.50 g/mol, XLogP of 2.27, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(6-quinolin-8-yloxyhexanoylamino)hexanamide is sourced from PubChem (CID 3671565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).