4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride

C16H22Cl2N4O2 — CID 120565209

IUPAC4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(=O)Nc1cccc2cccnc12.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-11(17)7-8-14(21)19-10-15(22)20-13-6-2-4-12-5-3-9-18-16(12)13;;/h2-6,9,11H,7-8,10,17H2,1H3,(H,19,21)(H,20,22);2*1H
InChIKeyPLVGMLYCZZUUEJ-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.26
Rot. Bonds6

About 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride

4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride (PubChem CID 120565209) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
PubChem CID120565209
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Name4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(=O)Nc1cccc2cccnc12.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-11(17)7-8-14(21)19-10-15(22)20-13-6-2-4-12-5-3-9-18-16(12)13;;/h2-6,9,11H,7-8,10,17H2,1H3,(H,19,21)(H,20,22);2*1H
InChIKeyPLVGMLYCZZUUEJ-UHFFFAOYSA-N
XLogP2.26
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 166417753
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
4-(2-chlorophenyl)-N-quinolin-8-ylpentanamide
CID 121339507
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
5-[dimethyl(phenyl)silyl]-4-methyl-N-quinolin-8-ylpentanamide
CID 163364489
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
CID 52842232

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride (CID 120565209) is 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCC(=O)Nc1cccc2cccnc12.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride?
The InChIKey is PLVGMLYCZZUUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.2ClH/c1-11(17)7-8-14(21)19-10-15(22)20-13-6-2-4-12-5-3-9-18-16(12)13;;/h2-6,9,11H,7-8,10,17H2,1H3,(H,19,21)(H,20,22);2*1H.
What are the key properties of 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride?
4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride has a molecular weight of 373.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).