1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone

C17H22N4O3 — CID 14068999

IUPAC1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc2nc(N3CCN(C(C)=O)CC3)cc(N)c2cc1OC
InChIInChI=1S/C17H22N4O3/c1-11(22)20-4-6-21(7-5-20)17-9-13(18)12-8-15(23-2)16(24-3)10-14(12)19-17/h8-10H,4-7H2,1-3H3,(H2,18,19)
InChIKeySGSKYLGFEYUIRR-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.50
Rot. Bonds3

About 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone

1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone (PubChem CID 14068999) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
PubChem CID14068999
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc2nc(N3CCN(C(C)=O)CC3)cc(N)c2cc1OC
InChIInChI=1S/C17H22N4O3/c1-11(22)20-4-6-21(7-5-20)17-9-13(18)12-8-15(23-2)16(24-3)10-14(12)19-17/h8-10H,4-7H2,1-3H3,(H2,18,19)
InChIKeySGSKYLGFEYUIRR-UHFFFAOYSA-N
XLogP1.50
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-hydroxy-2-methylpropyl) 4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazine-1-carboxylate;hydrate;hydrochloride
CID 70405343
[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(5-(125I)iodo-3-pyridinyl)methanone
CID 10697218
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 90673657
4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
CID 84632987
2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 14625302
1,7-bis[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3,3,5,5-tetramethylheptane-1,7-dione
CID 137398803
6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
CID 91665053
1-[4-(2-amino-4-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 55215680
5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid
CID 91810601
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 12837101
6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 118607331

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone (CID 14068999) is 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone is COc1cc2nc(N3CCN(C(C)=O)CC3)cc(N)c2cc1OC.
What is the InChIKey of 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is SGSKYLGFEYUIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(22)20-4-6-21(7-5-20)17-9-13(18)12-8-15(23-2)16(24-3)10-14(12)19-17/h8-10H,4-7H2,1-3H3,(H2,18,19).
What are the key properties of 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 14068999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).