2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide

C17H20ClN3O3 — CID 3865457

IUPAC2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)COc1ccc(Cl)c2cccnc12)C(N)=O
InChIInChI=1S/C17H20ClN3O3/c1-3-10(2)15(17(19)23)21-14(22)9-24-13-7-6-12(18)11-5-4-8-20-16(11)13/h4-8,10,15H,3,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyNFYVFVWHHFUVHH-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.28
Rot. Bonds7

About 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide

2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide (PubChem CID 3865457) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
PubChem CID3865457
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)COc1ccc(Cl)c2cccnc12)C(N)=O
InChIInChI=1S/C17H20ClN3O3/c1-3-10(2)15(17(19)23)21-14(22)9-24-13-7-6-12(18)11-5-4-8-20-16(11)13/h4-8,10,15H,3,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyNFYVFVWHHFUVHH-UHFFFAOYSA-N
XLogP2.28
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
CID 119363599
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8716298
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-[4-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]phenoxy]acetamide
CID 55828463
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide (CID 3865457) is 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)COc1ccc(Cl)c2cccnc12)C(N)=O.
What is the InChIKey of 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide?
The InChIKey is NFYVFVWHHFUVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-3-10(2)15(17(19)23)21-14(22)9-24-13-7-6-12(18)11-5-4-8-20-16(11)13/h4-8,10,15H,3,9H2,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide?
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide has a molecular weight of 349.82 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide is sourced from PubChem (CID 3865457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).