[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone

C16H20N4O — CID 62850573

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
SMILESNCCN1CCN(C(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H20N4O/c17-5-7-19-8-10-20(11-9-19)16(21)14-3-4-15-13(12-14)2-1-6-18-15/h1-4,6,12H,5,7-11,17H2
InChIKeyCTYZLULPNVHRCB-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.95
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone

[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone (PubChem CID 62850573) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
PubChem CID62850573
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
SMILESNCCN1CCN(C(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H20N4O/c17-5-7-19-8-10-20(11-9-19)16(21)14-3-4-15-13(12-14)2-1-6-18-15/h1-4,6,12H,5,7-11,17H2
InChIKeyCTYZLULPNVHRCB-UHFFFAOYSA-N
XLogP0.95
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-quinolin-6-ylmethanone
CID 75527434
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
1-(2-methylquinolin-4-yl)-3-[2-[4-(quinoline-6-carbonyl)piperazin-1-yl]ethyl]urea
CID 11442740
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43251620
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
CID 89311572
1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
CID 42531267

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone (CID 62850573) is [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone is NCCN1CCN(C(=O)c2ccc3ncccc3c2)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is CTYZLULPNVHRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-5-7-19-8-10-20(11-9-19)16(21)14-3-4-15-13(12-14)2-1-6-18-15/h1-4,6,12H,5,7-11,17H2.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone?
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 62850573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).