1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one

C16H20N2O — CID 82299704

IUPAC1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3=CCCNCC3)ccc21
InChIInChI=1S/C16H20N2O/c1-18-15-6-4-13(11-14(15)5-7-16(18)19)12-3-2-9-17-10-8-12/h3-4,6,11,17H,2,5,7-10H2,1H3
InChIKeyOXNVAHVJXDSXMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.36
Rot. Bonds1

About 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one

1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one (PubChem CID 82299704) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one
PubChem CID82299704
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3=CCCNCC3)ccc21
InChIInChI=1S/C16H20N2O/c1-18-15-6-4-13(11-14(15)5-7-16(18)19)12-3-2-9-17-10-8-12/h3-4,6,11,17H,2,5,7-10H2,1H3
InChIKeyOXNVAHVJXDSXMF-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
1-methyl-6-(5-piperidin-4-yloxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 89440578
6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116880657
6-(2-amino-5-methyl-1H-imidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82482606
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 82306077
6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 84610373
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 95474315
1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one
CID 95473943
1-methyl-6-pyrrolidin-2-yl-3,4-dihydroquinolin-2-one
CID 82288921
6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116970301
6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116935319

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one (CID 82299704) is 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C3=CCCNCC3)ccc21.
What is the InChIKey of 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is OXNVAHVJXDSXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18-15-6-4-13(11-14(15)5-7-16(18)19)12-3-2-9-17-10-8-12/h3-4,6,11,17H,2,5,7-10H2,1H3.
What are the key properties of 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one?
1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82299704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).