2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide

C16H20N4O — CID 62838988

IUPAC2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide
SMILESO=C(CN1CCCNCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H20N4O/c21-16(12-20-8-3-6-17-7-9-20)19-14-10-13-4-1-2-5-15(13)18-11-14/h1-2,4-5,10-11,17H,3,6-9,12H2,(H,19,21)
InChIKeyISRORWADZKPVRP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide

2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide (PubChem CID 62838988) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide
PubChem CID62838988
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide
SMILESO=C(CN1CCCNCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H20N4O/c21-16(12-20-8-3-6-17-7-9-20)19-14-10-13-4-1-2-5-15(13)18-11-14/h1-2,4-5,10-11,17H,3,6-9,12H2,(H,19,21)
InChIKeyISRORWADZKPVRP-UHFFFAOYSA-N
XLogP1.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62837342
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
2-(1,4-diazepan-1-yl)-N-(6-fluoro-2-pyridinyl)acetamide
CID 116813264

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide (CID 62838988) is 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide is O=C(CN1CCCNCC1)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide?
The InChIKey is ISRORWADZKPVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(12-20-8-3-6-17-7-9-20)19-14-10-13-4-1-2-5-15(13)18-11-14/h1-2,4-5,10-11,17H,3,6-9,12H2,(H,19,21).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide?
2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide has a molecular weight of 284.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide is sourced from PubChem (CID 62838988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).