(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone

C16H19N3O — CID 62154164

IUPAC(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c17-15-11-13(12-7-3-4-8-14(12)18-15)16(20)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,17,18)
InChIKeyVWBHGJIIVBLMOI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds1

About (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone

(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone (PubChem CID 62154164) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
PubChem CID62154164
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c17-15-11-13(12-7-3-4-8-14(12)18-15)16(20)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,17,18)
InChIKeyVWBHGJIIVBLMOI-UHFFFAOYSA-N
XLogP2.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066

Frequently Asked Questions

What is the IUPAC name of (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone?
The IUPAC name of (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone (CID 62154164) is (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone is Nc1cc(C(=O)N2CCCCCC2)c2ccccc2n1.
What is the InChIKey of (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone?
The InChIKey is VWBHGJIIVBLMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-15-11-13(12-7-3-4-8-14(12)18-15)16(20)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,17,18).
What are the key properties of (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone?
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoquinolin-4-yl)-(azepan-1-yl)methanone is sourced from PubChem (CID 62154164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).